Natural Product: NPC107672

Natural Product ID:  NPC107672
Common Name:   3,4,5,3'-Tetrahydroxybenzophenone
IUPAC Name:   (3-hydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
Synonyms:   3,4,5,3'-Tetrahydroxybenzophenone
Molecular Formula:   C13H10O5
Standard InCHIKey:  BGRHXPHEMQYXJP-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C13H10O5/c14-9-3-1-2-7(4-9)12(17)8-5-10(15)13(18)11(16)6-8/h1-6,14-16,18H
Canonical SMILES:  Oc1cccc(c1)C(=O)c1cc(O)c(c(c1)O)O
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO10376 Arcyria denudata Species Trichiidae Eukaryota UNPD*
NPO24931 Myelochroa aurulenta Species Parmeliaceae Eukaryota UNPD*
NPO10391 Dolomiaea souliei Species Asteraceae Eukaryota UNPD*
NPO25216 Senecio vellereus Species Asteraceae Eukaryota UNPD*
NPO8560 Aplidium tabascum Species Polyclinidae Eukaryota UNPD*
NPO6249 Garcinia mangostana Species Clusiaceae Eukaryota UNPD*
NPO3707 Chromatium okenii Species Chromatiaceae Bacteria UNPD*
NPO10221 Streptomyces alboniger Species Streptomycetaceae Bacteria UNPD*
NPO7811 Scleronephthya pallida Species Nephtheidae Eukaryota UNPD*
NPO3449 Lonicera hypoleuca Species Caprifoliaceae Eukaryota UNPD*
NPO8927 Poria selecta Species Coccinellidae Eukaryota UNPD*
NPO9741 Actinopyga agassizi Species Holothuriidae Eukaryota UNPD*
NPO12600 Trametes cinnabarina Species Coriolaceae Eukaryota UNPD*
NPO9717 Wibelia divaricata Species Davalliaceae Eukaryota UNPD*
NPO27924 Serpocaulon triseriale Species Polypodiaceae Eukaryota UNPD*
NPO4064 Halimodendron halodendron Species Fabaceae Eukaryota UNPD*
NPO10056 Nicotiana sylvestris Species Solanaceae Eukaryota UNPD*
NPO8354 Aster bellidiastrum Species Asteraceae Eukaryota UNPD*
NPO7534 Leptogorgia sarmentosa Species Gorgoniidae Eukaryota UNPD*
NPO10849 Eucalyptus camaldulensis Species Myrtaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT865 Individual Protein Fatty acid synthase Homo sapiens IC50 = 14760 nM 20817450

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC107672 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.96 High Similarity NPC135801
0.952 High Similarity NPC34070
0.952 High Similarity NPC469526
0.944 High Similarity NPC233056
0.944 High Similarity NPC26697
0.9417 High Similarity NPC248363
0.92 High Similarity NPC156539
0.9154 High Similarity NPC264112
0.9154 High Similarity NPC194764
0.9154 High Similarity NPC65005
0.9134 High Similarity NPC244441
0.912 High Similarity NPC8745
0.9084 High Similarity NPC290030
0.904 High Similarity NPC10926
0.9023 High Similarity NPC203063
0.9016 High Similarity NPC159525
0.9015 High Similarity NPC175552
0.896 High Similarity NPC13238
0.8952 High Similarity NPC225710
0.8947 High Similarity NPC472903
0.8934 High Similarity NPC158222
0.8926 High Similarity NPC150919
0.8828 High Similarity NPC234175
0.8824 High Similarity NPC287722
0.8824 High Similarity NPC238629
0.8815 High Similarity NPC472904
0.88 High Similarity NPC133909
0.88 High Similarity NPC32032
0.8797 High Similarity NPC170742
0.8759 High Similarity NPC105213
0.8759 High Similarity NPC207732
0.875 High Similarity NPC312256
0.8722 High Similarity NPC223836
0.872 High Similarity NPC224273
0.872 High Similarity NPC267552
0.872 High Similarity NPC143427
0.872 High Similarity NPC45438
0.872 High Similarity NPC115159
0.872 High Similarity NPC156139
0.872 High Similarity NPC242895
0.872 High Similarity NPC73532
0.872 High Similarity NPC19174
0.8689 High Similarity NPC277394
0.8689 High Similarity NPC299252
0.8689 High Similarity NPC61062
0.8676 High Similarity NPC110419
0.8647 High Similarity NPC72918
0.8647 High Similarity NPC208760
0.864 High Similarity NPC294361
0.864 High Similarity NPC236520
0.864 High Similarity NPC297186
0.8629 High Similarity NPC156654
0.8626 High Similarity NPC264145
0.8623 High Similarity NPC242893
0.8623 High Similarity NPC38065
0.8623 High Similarity NPC142165
0.8615 High Similarity NPC94810
0.8613 High Similarity NPC301178
0.8613 High Similarity NPC284556
0.8605 High Similarity NPC214620
0.8583 High Similarity NPC268032
0.8571 High Similarity NPC166480
0.8571 High Similarity NPC188074
0.8571 High Similarity NPC125449
0.8571 High Similarity NPC44437
0.8571 High Similarity NPC248150
0.8571 High Similarity NPC282780
0.8561 High Similarity NPC157133
0.8551 High Similarity NPC471417
0.8551 High Similarity NPC254659
0.8511 High Similarity NPC196277
0.8511 High Similarity NPC287395
0.8511 High Similarity NPC183655
0.8511 High Similarity NPC272721
0.8511 High Similarity NPC474903
0.8511 High Similarity NPC43669
0.8511 High Similarity NPC218490
0.85 High Similarity NPC165389
0.8496 Intermediate Similarity NPC304929
0.8496 Intermediate Similarity NPC156124
0.8496 Intermediate Similarity NPC294226
0.8496 Intermediate Similarity NPC1321
0.8473 Intermediate Similarity NPC109123
0.8473 Intermediate Similarity NPC474998
0.8473 Intermediate Similarity NPC92624
0.8462 Intermediate Similarity NPC103356
0.8462 Intermediate Similarity NPC324209
0.8462 Intermediate Similarity NPC100067
0.8462 Intermediate Similarity NPC190043
0.8462 Intermediate Similarity NPC30501
0.8462 Intermediate Similarity NPC266689
0.8462 Intermediate Similarity NPC98254
0.8462 Intermediate Similarity NPC169250
0.8462 Intermediate Similarity NPC162612
0.8462 Intermediate Similarity NPC72158
0.8462 Intermediate Similarity NPC23126
0.8462 Intermediate Similarity NPC105157
0.8456 Intermediate Similarity NPC61398
0.8456 Intermediate Similarity NPC416
0.8455 Intermediate Similarity NPC4665
0.8451 Intermediate Similarity NPC195763
0.8451 Intermediate Similarity NPC264289
0.8451 Intermediate Similarity NPC200060
0.8451 Intermediate Similarity NPC333691
0.8451 Intermediate Similarity NPC139293
0.8451 Intermediate Similarity NPC69430
0.8451 Intermediate Similarity NPC40290
0.8451 Intermediate Similarity NPC264550
0.8451 Intermediate Similarity NPC142876
0.8444 Intermediate Similarity NPC156892
0.844 Intermediate Similarity NPC77378
0.844 Intermediate Similarity NPC168803
0.8429 Intermediate Similarity NPC262282
0.8429 Intermediate Similarity NPC70136
0.8425 Intermediate Similarity NPC196976
0.8409 Intermediate Similarity NPC259942
0.8397 Intermediate Similarity NPC221777
0.8397 Intermediate Similarity NPC473017
0.8397 Intermediate Similarity NPC21305
0.8394 Intermediate Similarity NPC4796
0.8392 Intermediate Similarity NPC10467
0.8392 Intermediate Similarity NPC29231
0.8392 Intermediate Similarity NPC472279
0.8385 Intermediate Similarity NPC62952
0.8385 Intermediate Similarity NPC267846
0.8382 Intermediate Similarity NPC53206
0.8382 Intermediate Similarity NPC53414
0.8382 Intermediate Similarity NPC147418
0.838 Intermediate Similarity NPC194856
0.838 Intermediate Similarity NPC80710
0.838 Intermediate Similarity NPC471907
0.838 Intermediate Similarity NPC203747
0.838 Intermediate Similarity NPC254702
0.838 Intermediate Similarity NPC12367
0.838 Intermediate Similarity NPC194653
0.838 Intermediate Similarity NPC276930
0.838 Intermediate Similarity NPC139364
0.838 Intermediate Similarity NPC118726
0.837 Intermediate Similarity NPC18646
0.837 Intermediate Similarity NPC129752
0.8359 Intermediate Similarity NPC86900
0.8359 Intermediate Similarity NPC91478
0.8358 Intermediate Similarity NPC4170
0.8357 Intermediate Similarity NPC279121
0.8346 Intermediate Similarity NPC146642
0.8345 Intermediate Similarity NPC291078
0.8333 Intermediate Similarity NPC102829
0.8333 Intermediate Similarity NPC251110
0.8333 Intermediate Similarity NPC58427
0.8333 Intermediate Similarity NPC120488
0.8333 Intermediate Similarity NPC50823
0.8333 Intermediate Similarity NPC161617
0.8333 Intermediate Similarity NPC17525
0.8333 Intermediate Similarity NPC114392
0.8333 Intermediate Similarity NPC78505
0.8333 Intermediate Similarity NPC105727
0.8333 Intermediate Similarity NPC227485
0.8333 Intermediate Similarity NPC34864
0.8322 Intermediate Similarity NPC183959
0.8322 Intermediate Similarity NPC102003
0.8322 Intermediate Similarity NPC38545
0.8322 Intermediate Similarity NPC171916
0.8322 Intermediate Similarity NPC105512
0.8322 Intermediate Similarity NPC92722
0.8322 Intermediate Similarity NPC1612
0.8321 Intermediate Similarity NPC239943
0.8321 Intermediate Similarity NPC123714
0.8321 Intermediate Similarity NPC116513
0.8321 Intermediate Similarity NPC158654
0.831 Intermediate Similarity NPC95864
0.831 Intermediate Similarity NPC207729
0.831 Intermediate Similarity NPC130230
0.831 Intermediate Similarity NPC51443
0.831 Intermediate Similarity NPC74881
0.831 Intermediate Similarity NPC275772
0.831 Intermediate Similarity NPC86847
0.831 Intermediate Similarity NPC140840
0.831 Intermediate Similarity NPC239312
0.8309 Intermediate Similarity NPC254847
0.8306 Intermediate Similarity NPC322197
0.8306 Intermediate Similarity NPC278102
0.8296 Intermediate Similarity NPC237330
0.8286 Intermediate Similarity NPC134975
0.8286 Intermediate Similarity NPC121573
0.8286 Intermediate Similarity NPC226738
0.8286 Intermediate Similarity NPC190587
0.8286 Intermediate Similarity NPC474692
0.8286 Intermediate Similarity NPC119663
0.8286 Intermediate Similarity NPC175013
0.8286 Intermediate Similarity NPC22176
0.8281 Intermediate Similarity NPC120545
0.8279 Intermediate Similarity NPC297657
0.8276 Intermediate Similarity NPC245382
0.8276 Intermediate Similarity NPC100263
0.8276 Intermediate Similarity NPC35763
0.8276 Intermediate Similarity NPC100971
0.8276 Intermediate Similarity NPC181209
0.8276 Intermediate Similarity NPC291802
0.8276 Intermediate Similarity NPC312338
0.8276 Intermediate Similarity NPC149889

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC107672 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.96 High Similarity NPD943 Approved
0.8952 High Similarity NPD9269 Phase 2
0.8722 High Similarity NPD651 Clinical (unspecified phase)
0.8629 High Similarity NPD9268 Approved
0.8496 Intermediate Similarity NPD230 Phase 1
0.8357 Intermediate Similarity NPD1511 Approved
0.8309 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.8239 Intermediate Similarity NPD1512 Approved
0.8043 Intermediate Similarity NPD1510 Phase 2
0.8027 Intermediate Similarity NPD1934 Approved
0.8015 Intermediate Similarity NPD1240 Approved
0.7987 Intermediate Similarity NPD3882 Suspended
0.7973 Intermediate Similarity NPD2801 Approved
0.7973 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7899 Intermediate Similarity NPD1607 Approved
0.7895 Intermediate Similarity NPD1470 Approved
0.7867 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7805 Intermediate Similarity NPD9265 Clinical (unspecified phase)
0.7778 Intermediate Similarity NPD9494 Approved
0.775 Intermediate Similarity NPD1242 Phase 1
0.7746 Intermediate Similarity NPD1549 Phase 2
0.7733 Intermediate Similarity NPD1465 Phase 2
0.7727 Intermediate Similarity NPD1201 Approved
0.7708 Intermediate Similarity NPD6190 Approved
0.768 Intermediate Similarity NPD3021 Approved
0.768 Intermediate Similarity NPD3022 Approved
0.7676 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7676 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD3818 Discontinued
0.7603 Intermediate Similarity NPD7390 Discontinued
0.7568 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7538 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7533 Intermediate Similarity NPD4380 Phase 2
0.7517 Intermediate Similarity NPD3750 Approved
0.7516 Intermediate Similarity NPD6166 Phase 2
0.7516 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD1164 Approved
0.7482 Intermediate Similarity NPD3764 Approved
0.7481 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7464 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7432 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7424 Intermediate Similarity NPD9545 Approved
0.741 Intermediate Similarity NPD3027 Phase 3
0.7391 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7389 Intermediate Similarity NPD6232 Discontinued
0.7379 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD5408 Approved
0.7361 Intermediate Similarity NPD5404 Approved
0.7361 Intermediate Similarity NPD5405 Approved
0.7361 Intermediate Similarity NPD5406 Approved
0.7358 Intermediate Similarity NPD7473 Discontinued
0.7338 Intermediate Similarity NPD3817 Phase 2
0.7329 Intermediate Similarity NPD7074 Phase 3
0.7315 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD7054 Approved
0.7258 Intermediate Similarity NPD940 Approved
0.7258 Intermediate Similarity NPD846 Approved
0.7254 Intermediate Similarity NPD1613 Approved
0.7254 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD6799 Approved
0.7244 Intermediate Similarity NPD7075 Discontinued
0.7244 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD2935 Discontinued
0.7241 Intermediate Similarity NPD2796 Approved
0.7239 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7472 Approved
0.7195 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7194 Intermediate Similarity NPD258 Approved
0.7194 Intermediate Similarity NPD257 Approved
0.7188 Intermediate Similarity NPD9266 Approved
0.7188 Intermediate Similarity NPD74 Approved
0.7178 Intermediate Similarity NPD6797 Phase 2
0.7172 Intermediate Similarity NPD3748 Approved
0.7162 Intermediate Similarity NPD8166 Discontinued
0.7162 Intermediate Similarity NPD4628 Phase 3
0.7161 Intermediate Similarity NPD7819 Suspended
0.7161 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD5494 Approved
0.7143 Intermediate Similarity NPD1237 Approved
0.7134 Intermediate Similarity NPD7251 Discontinued
0.7134 Intermediate Similarity NPD3749 Approved
0.7133 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7123 Intermediate Similarity NPD1551 Phase 2
0.7109 Intermediate Similarity NPD9264 Approved
0.7109 Intermediate Similarity NPD9263 Approved
0.7109 Intermediate Similarity NPD9267 Approved
0.7083 Intermediate Similarity NPD447 Suspended
0.7078 Intermediate Similarity NPD6599 Discontinued
0.7075 Intermediate Similarity NPD2344 Approved
0.7059 Intermediate Similarity NPD3019 Approved
0.7059 Intermediate Similarity NPD2932 Approved
0.7055 Intermediate Similarity NPD5844 Phase 1
0.7047 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD7411 Suspended
0.7029 Intermediate Similarity NPD3972 Approved
0.7029 Intermediate Similarity NPD1608 Approved
0.7021 Intermediate Similarity NPD9569 Approved
0.7019 Intermediate Similarity NPD3926 Phase 2
0.7015 Intermediate Similarity NPD9493 Approved
0.7013 Intermediate Similarity NPD3455 Phase 2
0.7006 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD1203 Approved
0.7 Intermediate Similarity NPD4750 Phase 3
0.7 Intermediate Similarity NPD1247 Approved
0.6993 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6992 Remote Similarity NPD2860 Approved
0.6992 Remote Similarity NPD2859 Approved
0.6988 Remote Similarity NPD7808 Phase 3
0.6987 Remote Similarity NPD6801 Discontinued
0.6981 Remote Similarity NPD919 Approved
0.698 Remote Similarity NPD2800 Approved
0.698 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6975 Remote Similarity NPD1220 Phase 1
0.6963 Remote Similarity NPD5536 Phase 2
0.696 Remote Similarity NPD3020 Approved
0.6959 Remote Similarity NPD7266 Discontinued
0.6954 Remote Similarity NPD3300 Phase 2
0.6947 Remote Similarity NPD9280 Clinical (unspecified phase)
0.6914 Remote Similarity NPD5242 Approved
0.6911 Remote Similarity NPD2934 Approved
0.6911 Remote Similarity NPD2933 Approved
0.6908 Remote Similarity NPD4357 Discontinued
0.6899 Remote Similarity NPD5402 Approved
0.6897 Remote Similarity NPD826 Approved
0.6897 Remote Similarity NPD825 Approved
0.6894 Remote Similarity NPD228 Approved
0.6892 Remote Similarity NPD9570 Approved
0.6892 Remote Similarity NPD6099 Approved
0.6892 Remote Similarity NPD6100 Approved
0.6887 Remote Similarity NPD2309 Approved
0.6875 Remote Similarity NPD6234 Discontinued
0.6867 Remote Similarity NPD1243 Approved
0.6866 Remote Similarity NPD9281 Approved
0.6863 Remote Similarity NPD2533 Approved
0.6863 Remote Similarity NPD2534 Approved
0.6863 Remote Similarity NPD2532 Approved
0.6857 Remote Similarity NPD1755 Approved
0.6849 Remote Similarity NPD274 Approved
0.6849 Remote Similarity NPD275 Approved
0.6848 Remote Similarity NPD1221 Approved
0.6842 Remote Similarity NPD9379 Approved
0.6842 Remote Similarity NPD9377 Approved
0.6833 Remote Similarity NPD9094 Approved
0.6828 Remote Similarity NPD259 Phase 1
0.6824 Remote Similarity NPD3299 Clinical (unspecified phase)
0.6824 Remote Similarity NPD2799 Discontinued
0.6812 Remote Similarity NPD17 Approved
0.6809 Remote Similarity NPD1876 Approved
0.6806 Remote Similarity NPD9536 Phase 1
0.6806 Remote Similarity NPD9537 Phase 1
0.6803 Remote Similarity NPD6651 Approved
0.6797 Remote Similarity NPD9261 Approved
0.679 Remote Similarity NPD6959 Discontinued
0.6776 Remote Similarity NPD2354 Approved
0.6774 Remote Similarity NPD920 Approved
0.6774 Remote Similarity NPD5403 Approved
0.6772 Remote Similarity NPD37 Approved
0.6768 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6765 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6759 Remote Similarity NPD2313 Discontinued
0.6753 Remote Similarity NPD642 Clinical (unspecified phase)
0.6753 Remote Similarity NPD5401 Approved
0.675 Remote Similarity NPD7768 Phase 2
0.6747 Remote Similarity NPD7804 Clinical (unspecified phase)
0.6735 Remote Similarity NPD555 Phase 2
0.6732 Remote Similarity NPD643 Clinical (unspecified phase)
0.6726 Remote Similarity NPD6559 Discontinued
0.6726 Remote Similarity NPD7685 Pre-registration
0.6714 Remote Similarity NPD1610 Phase 2
0.6714 Remote Similarity NPD422 Phase 1
0.6713 Remote Similarity NPD2798 Approved
0.6711 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6711 Remote Similarity NPD4308 Phase 3
0.6709 Remote Similarity NPD6385 Approved
0.6709 Remote Similarity NPD6386 Approved
0.6694 Remote Similarity NPD1202 Approved
0.6691 Remote Similarity NPD9381 Approved
0.6691 Remote Similarity NPD9384 Approved
0.669 Remote Similarity NPD1283 Approved
0.6688 Remote Similarity NPD824 Approved
0.6688 Remote Similarity NPD3226 Approved
0.6687 Remote Similarity NPD7199 Phase 2
0.6687 Remote Similarity NPD5353 Approved
0.6667 Remote Similarity NPD1930 Approved
0.6667 Remote Similarity NPD9717 Approved
0.6667 Remote Similarity NPD1929 Approved
0.6667 Remote Similarity NPD1548 Phase 1
0.6667 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6667 Remote Similarity NPD5953 Discontinued
0.6667 Remote Similarity NPD1241 Discontinued
0.6667 Remote Similarity NPD1481 Phase 2
0.6646 Remote Similarity NPD4965 Approved
0.6646 Remote Similarity NPD4966 Approved
0.6646 Remote Similarity NPD4967 Phase 2
0.6644 Remote Similarity NPD3268 Approved
0.6643 Remote Similarity NPD3023 Approved
0.6643 Remote Similarity NPD3026 Approved

Structure

External Identifiers

PubChem CID   52948815
ChEMBL   CHEMBL1256379
ZINC  

Physicochemical Properties

Molecular Weight:  246.05
ALogP:  -2.105
MLogP:  2.34
XLogP:  1.417
# Rotatable Bonds:  6
Polar Surface Area:  97.99
# H-Bond Aceptor:  1
# H-Bond Donor:  4
# Rings:  2
# Heavy Atoms:  18

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs