Natural Product: NPC52593

Natural Product ID:  NPC52593
Common Name:   Benzocamphorin B
IUPAC Name:   4,5-dimethoxy-6-methyl-7-(3-methylbut-3-en-1-ynyl)-1,3-benzodioxole
Synonyms:   Benzocamphorin B
Molecular Formula:   C15H16O4
Standard InCHIKey:  OJOWAFWCUHHNHF-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H16O4/c1-9(2)6-7-11-10(3)12(16-4)14(17-5)15-13(11)18-8-19-15/h1,8H2,2-5H3
Canonical SMILES:  COc1c(C)c(C#CC(=C)C)c2c(c1OC)OCO2
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
NPO4909 Hilliardiella oligocephala Species Asteraceae Eukaryota UNPD*
NPO14403 Taiwanofungus camphoratus Species Coriolaceae Eukaryota fruiting body PMID[21115251]
NPO14403 Taiwanofungus camphoratus Species Coriolaceae Eukaryota UNPD*
NPO29200 Moquiniastrum paniculatum Species Asteraceae Eukaryota UNPD*
NPO11557 Echinus miliaris Species Echinidae Eukaryota UNPD*
NPO6533 Dipterocarpus pilosus Species Dipterocarpaceae Eukaryota UNPD*
NPO27240 Alcyonium grandis Species Alcyoniidae Eukaryota UNPD*
NPO6926 Colubrina asiatica Species Rhamnaceae Eukaryota UNPD*
NPO11787 Orthosiphon wulfenioides Species Lamiaceae Eukaryota UNPD*
NPO17660 Podocarpus lawrencei Species Podocarpaceae Eukaryota UNPD*
NPO15630 Manduca sexta Species Sphingidae Eukaryota UNPD*
NPO4176 Mosla scabra Species Lamiaceae Eukaryota UNPD*
NPO25603 Lycoris x chejuensis Species Amaryllidaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT270 Individual Protein Nitric oxide synthase, inducible Mus musculus IC50 = 12100 nM 21115251
NPT2 Others Unspecified IC50 = 14400 nM 21115251

  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 NPC52593 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
0.9032 High Similarity NPC191768
0.9032 High Similarity NPC92869
0.9032 High Similarity NPC283170
0.9024 High Similarity NPC264885
0.9024 High Similarity NPC211231
0.8906 High Similarity NPC258483
0.8864 High Similarity NPC261714
0.881 High Similarity NPC64391
0.8636 High Similarity NPC256776
0.8636 High Similarity NPC185680
0.8636 High Similarity NPC145722
0.8548 High Similarity NPC308217
0.8548 High Similarity NPC119949
0.8507 High Similarity NPC197166
0.8507 High Similarity NPC32189
0.8444 Intermediate Similarity NPC196420
0.8387 Intermediate Similarity NPC304208
0.8387 Intermediate Similarity NPC33271
0.8387 Intermediate Similarity NPC52464
0.8382 Intermediate Similarity NPC53722
0.8382 Intermediate Similarity NPC6369
0.8382 Intermediate Similarity NPC9068
0.8382 Intermediate Similarity NPC201404
0.8382 Intermediate Similarity NPC30951
0.8382 Intermediate Similarity NPC290714
0.8321 Intermediate Similarity NPC216434
0.8321 Intermediate Similarity NPC284464
0.8321 Intermediate Similarity NPC103448
0.8308 Intermediate Similarity NPC473960
0.8296 Intermediate Similarity NPC73071
0.8227 Intermediate Similarity NPC33832
0.8209 Intermediate Similarity NPC72046
0.8209 Intermediate Similarity NPC261812
0.8209 Intermediate Similarity NPC65183
0.8201 Intermediate Similarity NPC133934
0.8201 Intermediate Similarity NPC472562
0.8201 Intermediate Similarity NPC184684
0.8201 Intermediate Similarity NPC36531
0.8201 Intermediate Similarity NPC103637
0.8201 Intermediate Similarity NPC174522
0.8201 Intermediate Similarity NPC80326
0.8201 Intermediate Similarity NPC474295
0.8201 Intermediate Similarity NPC184641
0.8201 Intermediate Similarity NPC230538
0.8201 Intermediate Similarity NPC229172
0.8195 Intermediate Similarity NPC237169
0.8195 Intermediate Similarity NPC470624
0.8175 Intermediate Similarity NPC474612
0.8169 Intermediate Similarity NPC116019
0.8148 Intermediate Similarity NPC471391
0.8148 Intermediate Similarity NPC266848
0.8148 Intermediate Similarity NPC58585
0.8148 Intermediate Similarity NPC196937
0.8148 Intermediate Similarity NPC471390
0.8148 Intermediate Similarity NPC136750
0.8143 Intermediate Similarity NPC76415
0.8143 Intermediate Similarity NPC324962
0.8143 Intermediate Similarity NPC218510
0.8143 Intermediate Similarity NPC474808
0.814 Intermediate Similarity NPC270326
0.8134 Intermediate Similarity NPC192255
0.8129 Intermediate Similarity NPC300798
0.8129 Intermediate Similarity NPC58137
0.8106 Intermediate Similarity NPC202904
0.8106 Intermediate Similarity NPC189248
0.8088 Intermediate Similarity NPC31530
0.8085 Intermediate Similarity NPC121661
0.8085 Intermediate Similarity NPC239254
0.8085 Intermediate Similarity NPC73467
0.8085 Intermediate Similarity NPC326144
0.8085 Intermediate Similarity NPC172171
0.8074 Intermediate Similarity NPC475856
0.8074 Intermediate Similarity NPC7744
0.8071 Intermediate Similarity NPC191231
0.8065 Intermediate Similarity NPC204120
0.8062 Intermediate Similarity NPC285289
0.806 Intermediate Similarity NPC184814
0.806 Intermediate Similarity NPC63574
0.8045 Intermediate Similarity NPC207702
0.8045 Intermediate Similarity NPC149008
0.8045 Intermediate Similarity NPC283114
0.8043 Intermediate Similarity NPC20796
0.8029 Intermediate Similarity NPC189474
0.8029 Intermediate Similarity NPC240915
0.8029 Intermediate Similarity NPC474139
0.8029 Intermediate Similarity NPC25333
0.8029 Intermediate Similarity NPC150534
0.8029 Intermediate Similarity NPC49235
0.8029 Intermediate Similarity NPC148893
0.8028 Intermediate Similarity NPC197352
0.8028 Intermediate Similarity NPC318286
0.8028 Intermediate Similarity NPC205316
0.8028 Intermediate Similarity NPC110763
0.8028 Intermediate Similarity NPC166506
0.8028 Intermediate Similarity NPC327651
0.8028 Intermediate Similarity NPC475868
0.8028 Intermediate Similarity NPC307466
0.8028 Intermediate Similarity NPC189239
0.8015 Intermediate Similarity NPC183446
0.8015 Intermediate Similarity NPC1474
0.8 Intermediate Similarity NPC194626
0.8 Intermediate Similarity NPC312199
0.7985 Intermediate Similarity NPC153547
0.7972 Intermediate Similarity NPC154971
0.7972 Intermediate Similarity NPC321696
0.7972 Intermediate Similarity NPC321958
0.7972 Intermediate Similarity NPC252286
0.7972 Intermediate Similarity NPC87295
0.7971 Intermediate Similarity NPC143895
0.7971 Intermediate Similarity NPC121651
0.7971 Intermediate Similarity NPC11453
0.797 Intermediate Similarity NPC471986
0.7956 Intermediate Similarity NPC7163
0.7956 Intermediate Similarity NPC474478
0.7926 Intermediate Similarity NPC224157
0.7926 Intermediate Similarity NPC192687
0.7914 Intermediate Similarity NPC283949
0.7914 Intermediate Similarity NPC474039
0.7914 Intermediate Similarity NPC185908
0.7903 Intermediate Similarity NPC203924
0.7899 Intermediate Similarity NPC236522
0.7895 Intermediate Similarity NPC186845
0.7895 Intermediate Similarity NPC9891
0.7895 Intermediate Similarity NPC50683
0.7895 Intermediate Similarity NPC285725
0.7895 Intermediate Similarity NPC88297
0.7895 Intermediate Similarity NPC112571
0.7891 Intermediate Similarity NPC63083
0.7886 Intermediate Similarity NPC165386
0.7883 Intermediate Similarity NPC105554
0.7883 Intermediate Similarity NPC112237
0.7868 Intermediate Similarity NPC184928
0.7868 Intermediate Similarity NPC141493
0.7862 Intermediate Similarity NPC198129
0.7862 Intermediate Similarity NPC477375
0.7862 Intermediate Similarity NPC252281
0.7862 Intermediate Similarity NPC71726
0.7862 Intermediate Similarity NPC327352
0.7862 Intermediate Similarity NPC325720
0.7862 Intermediate Similarity NPC316676
0.7862 Intermediate Similarity NPC304821
0.7857 Intermediate Similarity NPC113550
0.7852 Intermediate Similarity NPC228769
0.7852 Intermediate Similarity NPC10225
0.7852 Intermediate Similarity NPC58164
0.7852 Intermediate Similarity NPC470633
0.7852 Intermediate Similarity NPC190144
0.7852 Intermediate Similarity NPC150809
0.7847 Intermediate Similarity NPC162193
0.7842 Intermediate Similarity NPC205442
0.7842 Intermediate Similarity NPC172818
0.7842 Intermediate Similarity NPC25695
0.7838 Intermediate Similarity NPC474514
0.7836 Intermediate Similarity NPC473093
0.7836 Intermediate Similarity NPC8050
0.7836 Intermediate Similarity NPC474670
0.7836 Intermediate Similarity NPC473092
0.7829 Intermediate Similarity NPC475961
0.7829 Intermediate Similarity NPC254625
0.7829 Intermediate Similarity NPC15805
0.7823 Intermediate Similarity NPC31279
0.7817 Intermediate Similarity NPC41782
0.7817 Intermediate Similarity NPC311057
0.781 Intermediate Similarity NPC102256
0.781 Intermediate Similarity NPC6451
0.781 Intermediate Similarity NPC319969
0.7808 Intermediate Similarity NPC477376
0.7808 Intermediate Similarity NPC477374
0.7808 Intermediate Similarity NPC322426
0.7808 Intermediate Similarity NPC85141
0.7801 Intermediate Similarity NPC56091
0.7801 Intermediate Similarity NPC177868
0.7801 Intermediate Similarity NPC46591
0.7801 Intermediate Similarity NPC226547
0.7794 Intermediate Similarity NPC51840
0.7794 Intermediate Similarity NPC126836
0.7794 Intermediate Similarity NPC311680
0.7794 Intermediate Similarity NPC234488
0.7794 Intermediate Similarity NPC299221
0.7786 Intermediate Similarity NPC477886
0.7778 Intermediate Similarity NPC180953
0.7778 Intermediate Similarity NPC42716
0.7778 Intermediate Similarity NPC474749
0.7778 Intermediate Similarity NPC57119
0.7778 Intermediate Similarity NPC328682
0.7778 Intermediate Similarity NPC178014
0.7778 Intermediate Similarity NPC281864
0.7778 Intermediate Similarity NPC158471
0.7778 Intermediate Similarity NPC165128
0.7778 Intermediate Similarity NPC226862
0.7778 Intermediate Similarity NPC54321
0.7778 Intermediate Similarity NPC82862
0.7778 Intermediate Similarity NPC222127
0.7778 Intermediate Similarity NPC11422
0.7769 Intermediate Similarity NPC344161
0.7762 Intermediate Similarity NPC258083
0.7761 Intermediate Similarity NPC474632
0.7761 Intermediate Similarity NPC245060
0.7761 Intermediate Similarity NPC223953
0.7761 Intermediate Similarity NPC112596

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC52593 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
0.8492 Intermediate Similarity NPD3705 Approved
0.7483 Intermediate Similarity NPD37 Approved
0.7445 Intermediate Similarity NPD3018 Phase 2
0.7379 Intermediate Similarity NPD6674 Discontinued
0.7338 Intermediate Similarity NPD4965 Approved
0.7338 Intermediate Similarity NPD4967 Phase 2
0.7338 Intermediate Similarity NPD3027 Phase 3
0.7338 Intermediate Similarity NPD4966 Approved
0.7333 Intermediate Similarity NPD2981 Phase 2
0.7315 Intermediate Similarity NPD1940 Clinical (unspecified phase)
0.7293 Intermediate Similarity NPD1357 Approved
0.7279 Intermediate Similarity NPD2983 Phase 2
0.7279 Intermediate Similarity NPD2982 Phase 2
0.7244 Intermediate Similarity NPD6234 Discontinued
0.7231 Intermediate Similarity NPD5283 Phase 1
0.7219 Intermediate Similarity NPD1653 Approved
0.7194 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7152 Intermediate Similarity NPD7199 Phase 2
0.7143 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD1613 Approved
0.6947 Remote Similarity NPD228 Approved
0.6939 Remote Similarity NPD3539 Phase 1
0.6933 Remote Similarity NPD7228 Approved
0.6918 Remote Similarity NPD6111 Discontinued
0.6892 Remote Similarity NPD1375 Discontinued
0.6892 Remote Similarity NPD3540 Phase 1
0.6884 Remote Similarity NPD1091 Approved
0.6821 Remote Similarity NPD5084 Clinical (unspecified phase)
0.6821 Remote Similarity NPD5307 Clinical (unspecified phase)
0.6806 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6797 Remote Similarity NPD2534 Approved
0.6797 Remote Similarity NPD2532 Approved
0.6797 Remote Similarity NPD2533 Approved
0.677 Remote Similarity NPD5494 Approved
0.6766 Remote Similarity NPD7240 Approved
0.6761 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6759 Remote Similarity NPD554 Clinical (unspecified phase)
0.6752 Remote Similarity NPD5089 Approved
0.6752 Remote Similarity NPD5090 Approved
0.6738 Remote Similarity NPD6696 Suspended
0.6732 Remote Similarity NPD6143 Clinical (unspecified phase)
0.6692 Remote Similarity NPD1139 Approved
0.6692 Remote Similarity NPD1137 Approved
0.6688 Remote Similarity NPD7028 Phase 2
0.6667 Remote Similarity NPD4749 Approved
0.6667 Remote Similarity NPD5691 Approved
0.6667 Remote Similarity NPD4908 Phase 1
0.6667 Remote Similarity NPD2801 Approved
0.6667 Remote Similarity NPD4585 Approved
0.6667 Remote Similarity NPD7124 Phase 2
0.6646 Remote Similarity NPD7975 Clinical (unspecified phase)
0.6643 Remote Similarity NPD1610 Phase 2
0.6642 Remote Similarity NPD1138 Approved
0.6642 Remote Similarity NPD5536 Phase 2
0.6627 Remote Similarity NPD3818 Discontinued
0.6624 Remote Similarity NPD6055 Clinical (unspecified phase)
0.6624 Remote Similarity NPD4005 Discontinued
0.6623 Remote Similarity NPD970 Clinical (unspecified phase)
0.6621 Remote Similarity NPD2669 Clinical (unspecified phase)
0.6621 Remote Similarity NPD4625 Phase 3
0.6619 Remote Similarity NPD4626 Approved
0.6618 Remote Similarity NPD709 Approved
0.6604 Remote Similarity NPD3384 Approved
0.6604 Remote Similarity NPD3383 Approved
0.6604 Remote Similarity NPD3382 Approved
0.6601 Remote Similarity NPD2219 Phase 1
0.6597 Remote Similarity NPD2861 Phase 2
0.6594 Remote Similarity NPD1548 Phase 1
0.6593 Remote Similarity NPD1398 Phase 1
0.6587 Remote Similarity NPD5844 Phase 1
0.6585 Remote Similarity NPD6232 Discontinued
0.6575 Remote Similarity NPD5109 Approved
0.6575 Remote Similarity NPD5110 Phase 2
0.6575 Remote Similarity NPD5111 Phase 2
0.6575 Remote Similarity NPD4907 Clinical (unspecified phase)
0.6554 Remote Similarity NPD3657 Discovery
0.6543 Remote Similarity NPD4055 Discovery
0.6525 Remote Similarity NPD422 Phase 1
0.6525 Remote Similarity NPD1611 Approved
0.6524 Remote Similarity NPD1247 Approved
0.6522 Remote Similarity NPD7644 Approved
0.6522 Remote Similarity NPD3817 Phase 2
0.6516 Remote Similarity NPD5297 Approved
0.6513 Remote Similarity NPD1372 Clinical (unspecified phase)
0.651 Remote Similarity NPD1772 Clinical (unspecified phase)
0.6488 Remote Similarity NPD7054 Approved
0.6486 Remote Similarity NPD3620 Phase 2
0.6486 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6481 Remote Similarity NPD3882 Suspended
0.6474 Remote Similarity NPD1424 Approved
0.6467 Remote Similarity NPD7473 Discontinued
0.6463 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6463 Remote Similarity NPD6859 Clinical (unspecified phase)
0.6454 Remote Similarity NPD3496 Discontinued
0.6453 Remote Similarity NPD7090 Clinical (unspecified phase)
0.645 Remote Similarity NPD7074 Phase 3
0.645 Remote Similarity NPD7472 Approved
0.6449 Remote Similarity NPD7340 Approved
0.6437 Remote Similarity NPD6842 Approved
0.6437 Remote Similarity NPD6841 Approved
0.6437 Remote Similarity NPD6843 Phase 3
0.6434 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6433 Remote Similarity NPD4338 Clinical (unspecified phase)
0.642 Remote Similarity NPD6374 Clinical (unspecified phase)
0.6419 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6414 Remote Similarity NPD4624 Approved
0.641 Remote Similarity NPD4357 Discontinued
0.6402 Remote Similarity NPD919 Approved
0.64 Remote Similarity NPD2492 Phase 1
0.6398 Remote Similarity NPD1934 Approved
0.6391 Remote Similarity NPD1358 Approved
0.6389 Remote Similarity NPD2922 Phase 1
0.6386 Remote Similarity NPD3787 Discontinued
0.6385 Remote Similarity NPD846 Approved
0.6385 Remote Similarity NPD940 Approved
0.6377 Remote Similarity NPD6671 Approved
0.6377 Remote Similarity NPD7157 Approved
0.6376 Remote Similarity NPD4060 Phase 1
0.6364 Remote Similarity NPD5698 Clinical (unspecified phase)
0.6364 Remote Similarity NPD4237 Approved
0.6364 Remote Similarity NPD1652 Phase 2
0.6364 Remote Similarity NPD4236 Phase 3
0.6358 Remote Similarity NPD2977 Approved
0.6358 Remote Similarity NPD1465 Phase 2
0.6358 Remote Similarity NPD2978 Approved
0.6351 Remote Similarity NPD7985 Registered
0.6347 Remote Similarity NPD3926 Phase 2
0.6343 Remote Similarity NPD2684 Approved
0.634 Remote Similarity NPD6006 Clinical (unspecified phase)
0.634 Remote Similarity NPD6003 Clinical (unspecified phase)
0.634 Remote Similarity NPD6002 Phase 3
0.634 Remote Similarity NPD6005 Phase 3
0.634 Remote Similarity NPD7266 Discontinued
0.634 Remote Similarity NPD6004 Phase 3
0.6337 Remote Similarity NPD7808 Phase 3
0.6333 Remote Similarity NPD5124 Phase 1
0.6333 Remote Similarity NPD5123 Clinical (unspecified phase)
0.6333 Remote Similarity NPD230 Phase 1
0.6329 Remote Similarity NPD7314 Clinical (unspecified phase)
0.6329 Remote Similarity NPD1349 Approved
0.6329 Remote Similarity NPD1350 Approved
0.6329 Remote Similarity NPD1351 Approved
0.6327 Remote Similarity NPD1008 Clinical (unspecified phase)
0.6323 Remote Similarity NPD3892 Phase 2
0.6319 Remote Similarity NPD2560 Approved
0.6319 Remote Similarity NPD4379 Clinical (unspecified phase)
0.6319 Remote Similarity NPD2563 Approved
0.6316 Remote Similarity NPD6797 Phase 2
0.6316 Remote Similarity NPD4108 Discontinued
0.6316 Remote Similarity NPD3748 Approved
0.6312 Remote Similarity NPD1651 Approved
0.6306 Remote Similarity NPD1511 Approved
0.6296 Remote Similarity NPD4750 Phase 3
0.6282 Remote Similarity NPD2677 Approved
0.628 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6279 Remote Similarity NPD7251 Discontinued
0.6277 Remote Similarity NPD7843 Approved
0.6276 Remote Similarity NPD8651 Approved
0.6275 Remote Similarity NPD3454 Phase 3
0.6273 Remote Similarity NPD4675 Approved
0.6273 Remote Similarity NPD4678 Approved
0.6269 Remote Similarity NPD290 Approved
0.6268 Remote Similarity NPD5126 Approved
0.6268 Remote Similarity NPD5125 Phase 3
0.6259 Remote Similarity NPD6387 Discontinued
0.6258 Remote Similarity NPD2393 Clinical (unspecified phase)
0.625 Remote Similarity NPD4210 Discontinued
0.625 Remote Similarity NPD1840 Phase 2
0.6243 Remote Similarity NPD7549 Discontinued
0.6242 Remote Similarity NPD5058 Phase 3
0.6242 Remote Similarity NPD6783 Clinical (unspecified phase)
0.6235 Remote Similarity NPD8252 Approved
0.6235 Remote Similarity NPD8099 Discontinued
0.6235 Remote Similarity NPD8251 Approved
0.6234 Remote Similarity NPD5762 Approved
0.6234 Remote Similarity NPD5763 Approved
0.6229 Remote Similarity NPD8055 Clinical (unspecified phase)
0.6226 Remote Similarity NPD1512 Approved
0.6225 Remote Similarity NPD447 Suspended
0.6225 Remote Similarity NPD1933 Approved
0.622 Remote Similarity NPD5353 Approved
0.6218 Remote Similarity NPD7466 Approved
0.6216 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6211 Remote Similarity NPD7261 Clinical (unspecified phase)
0.6209 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6209 Remote Similarity NPD7237 Clinical (unspecified phase)
0.6209 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6207 Remote Similarity NPD5327 Phase 3
0.6199 Remote Similarity NPD8156 Discontinued
0.6196 Remote Similarity NPD5005 Approved
0.6196 Remote Similarity NPD5006 Approved
0.6194 Remote Similarity NPD4664 Clinical (unspecified phase)
0.619 Remote Similarity NPD7229 Phase 3
0.619 Remote Similarity NPD5711 Approved
0.619 Remote Similarity NPD5710 Approved
0.6185 Remote Similarity NPD6559 Discontinued
0.6184 Remote Similarity NPD4097 Suspended

Structure

External Identifiers

PubChem CID   53322607
ChEMBL   CHEMBL1644787
ZINC  

Physicochemical Properties

Molecular Weight:  260.10
ALogP:  1.98
MLogP:  2.67
XLogP:  2.673
# Rotatable Bonds:  6
Polar Surface Area:  36.92
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  19

Download Data

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