Natural Product: NPC12818

Natural Product ID:  NPC12818
Common Name:   Onitin
IUPAC Name:   4-hydroxy-6-(2-hydroxyethyl)-2,2,5,7-tetramethyl-3H-inden-1-one
Synonyms:  
Molecular Formula:   C15H20O3
Standard InCHIKey:  IWRJCMQFEMXOML-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H20O3/c1-8-10(5-6-16)9(2)13(17)11-7-15(3,4)14(18)12(8)11/h16-17H,5-7H2,1-4H3
Canonical SMILES:  OCCc1c(C)c2c(c(c1C)O)CC(C2=O)(C)C
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
NPO12472 Buddleja davidii Species Scrophulariaceae Eukaryota UNPD*
NPO863 Rhaphidophora decursiva Species Araceae Eukaryota UNPD*
NPO14654 Rhododendron ledebourii Species Ericaceae Eukaryota UNPD*
NPO7952 Commelina communis Species Commelinaceae Eukaryota UNPD*
NPO10948 Guarea rhopalocarpa Species Meliaceae Eukaryota UNPD*
NPO15080 Larix kamtschatica Species Pinaceae Eukaryota UNPD*
NPO2059 Lactuca denticulata Species Asteraceae Eukaryota UNPD*
NPO15211 Eriogonum brevicaule Species Polygonaceae Eukaryota UNPD*
NPO5050 Galium triflorum Species Rubiaceae Eukaryota UNPD*
NPO15590 Peperomia tetraphylla Species Piperaceae Eukaryota UNPD*
NPO8723 Ophiostoma piliferum Species Ophiostomataceae Eukaryota UNPD*
NPO14315 Conostylis setosa Species Haemodoraceae Eukaryota UNPD*
NPO13317 Geigeria acaulis Species Asteraceae Eukaryota UNPD*
NPO24811 Cibotium barometz Species Cibotiaceae Eukaryota TM-MC*
NPO22224 Caragana jubata Species Fabaceae Eukaryota UNPD*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified EC50 = 100000 nM 17936628

  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 NPC12818 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
0.896 High Similarity NPC19432
0.8769 High Similarity NPC52368
0.8769 High Similarity NPC218854
0.8548 High Similarity NPC190971
0.8397 Intermediate Similarity NPC471851
0.8346 Intermediate Similarity NPC202225
0.8308 Intermediate Similarity NPC3009
0.8295 Intermediate Similarity NPC472047
0.8295 Intermediate Similarity NPC254492
0.8271 Intermediate Similarity NPC78307
0.8268 Intermediate Similarity NPC282577
0.8248 Intermediate Similarity NPC471853
0.8231 Intermediate Similarity NPC69424
0.8231 Intermediate Similarity NPC72667
0.8231 Intermediate Similarity NPC176130
0.8231 Intermediate Similarity NPC78364
0.8231 Intermediate Similarity NPC84672
0.8182 Intermediate Similarity NPC108129
0.8162 Intermediate Similarity NPC475957
0.8162 Intermediate Similarity NPC477592
0.814 Intermediate Similarity NPC199273
0.8134 Intermediate Similarity NPC477139
0.8129 Intermediate Similarity NPC248068
0.812 Intermediate Similarity NPC41847
0.812 Intermediate Similarity NPC476847
0.811 Intermediate Similarity NPC472046
0.8106 Intermediate Similarity NPC276238
0.8106 Intermediate Similarity NPC303910
0.8106 Intermediate Similarity NPC171460
0.808 Intermediate Similarity NPC174087
0.8077 Intermediate Similarity NPC123506
0.8077 Intermediate Similarity NPC87985
0.806 Intermediate Similarity NPC474109
0.8045 Intermediate Similarity NPC62219
0.8029 Intermediate Similarity NPC119542
0.8015 Intermediate Similarity NPC477596
0.8 Intermediate Similarity NPC314048
0.8 Intermediate Similarity NPC111845
0.8 Intermediate Similarity NPC152525
0.8 Intermediate Similarity NPC68756
0.8 Intermediate Similarity NPC181334
0.8 Intermediate Similarity NPC477209
0.8 Intermediate Similarity NPC138472
0.7985 Intermediate Similarity NPC17083
0.7985 Intermediate Similarity NPC93015
0.7971 Intermediate Similarity NPC477593
0.7971 Intermediate Similarity NPC230811
0.7956 Intermediate Similarity NPC315275
0.7956 Intermediate Similarity NPC86524
0.7955 Intermediate Similarity NPC83572
0.7953 Intermediate Similarity NPC473767
0.7941 Intermediate Similarity NPC477594
0.7941 Intermediate Similarity NPC474519
0.7939 Intermediate Similarity NPC137750
0.7923 Intermediate Similarity NPC471187
0.7923 Intermediate Similarity NPC273683
0.791 Intermediate Similarity NPC296158
0.7907 Intermediate Similarity NPC154696
0.7899 Intermediate Similarity NPC147691
0.7899 Intermediate Similarity NPC53001
0.7899 Intermediate Similarity NPC36868
0.7895 Intermediate Similarity NPC96024
0.7883 Intermediate Similarity NPC153088
0.7883 Intermediate Similarity NPC244640
0.7883 Intermediate Similarity NPC279291
0.7879 Intermediate Similarity NPC269598
0.7879 Intermediate Similarity NPC71610
0.7872 Intermediate Similarity NPC308572
0.7872 Intermediate Similarity NPC135524
0.7872 Intermediate Similarity NPC474961
0.7868 Intermediate Similarity NPC59459
0.7868 Intermediate Similarity NPC52407
0.7868 Intermediate Similarity NPC114183
0.7847 Intermediate Similarity NPC5568
0.7846 Intermediate Similarity NPC475192
0.7842 Intermediate Similarity NPC87723
0.7826 Intermediate Similarity NPC38158
0.7826 Intermediate Similarity NPC299734
0.7817 Intermediate Similarity NPC100242
0.781 Intermediate Similarity NPC474117
0.781 Intermediate Similarity NPC474394
0.781 Intermediate Similarity NPC474224
0.781 Intermediate Similarity NPC12070
0.781 Intermediate Similarity NPC270899
0.7803 Intermediate Similarity NPC131799
0.7803 Intermediate Similarity NPC477454
0.7801 Intermediate Similarity NPC204045
0.7801 Intermediate Similarity NPC477595
0.7801 Intermediate Similarity NPC305845
0.7801 Intermediate Similarity NPC477275
0.7801 Intermediate Similarity NPC92079
0.7794 Intermediate Similarity NPC88864
0.7794 Intermediate Similarity NPC165612
0.7794 Intermediate Similarity NPC70622
0.7786 Intermediate Similarity NPC162939
0.7786 Intermediate Similarity NPC190457
0.7786 Intermediate Similarity NPC198014
0.7786 Intermediate Similarity NPC306288
0.7778 Intermediate Similarity NPC475741
0.776 Intermediate Similarity NPC242136
0.7754 Intermediate Similarity NPC249272
0.7754 Intermediate Similarity NPC474076
0.7754 Intermediate Similarity NPC278375
0.7752 Intermediate Similarity NPC133302
0.7744 Intermediate Similarity NPC473691
0.7744 Intermediate Similarity NPC227741
0.7744 Intermediate Similarity NPC49647
0.7744 Intermediate Similarity NPC136342
0.7744 Intermediate Similarity NPC295202
0.7744 Intermediate Similarity NPC15837
0.774 Intermediate Similarity NPC142654
0.7737 Intermediate Similarity NPC49742
0.7737 Intermediate Similarity NPC267205
0.7737 Intermediate Similarity NPC37299
0.7737 Intermediate Similarity NPC263817
0.7737 Intermediate Similarity NPC180261
0.7737 Intermediate Similarity NPC48036
0.7737 Intermediate Similarity NPC4170
0.7727 Intermediate Similarity NPC234890
0.7727 Intermediate Similarity NPC173978
0.7727 Intermediate Similarity NPC74507
0.7721 Intermediate Similarity NPC291001
0.7717 Intermediate Similarity NPC83718
0.7714 Intermediate Similarity NPC123714
0.771 Intermediate Similarity NPC11250
0.771 Intermediate Similarity NPC307174
0.771 Intermediate Similarity NPC218333
0.771 Intermediate Similarity NPC66252
0.771 Intermediate Similarity NPC176208
0.7708 Intermediate Similarity NPC225351
0.7705 Intermediate Similarity NPC112903
0.7704 Intermediate Similarity NPC278928
0.7704 Intermediate Similarity NPC99731
0.7704 Intermediate Similarity NPC117899
0.7698 Intermediate Similarity NPC472599
0.7698 Intermediate Similarity NPC474311
0.7698 Intermediate Similarity NPC156967
0.7698 Intermediate Similarity NPC191976
0.7698 Intermediate Similarity NPC254847
0.7692 Intermediate Similarity NPC259703
0.7692 Intermediate Similarity NPC32322
0.7687 Intermediate Similarity NPC262936
0.7687 Intermediate Similarity NPC30491
0.7681 Intermediate Similarity NPC282780
0.7681 Intermediate Similarity NPC166480
0.768 Intermediate Similarity NPC231717
0.7676 Intermediate Similarity NPC106519
0.7676 Intermediate Similarity NPC2681
0.7676 Intermediate Similarity NPC91019
0.7676 Intermediate Similarity NPC272907
0.7674 Intermediate Similarity NPC79933
0.7674 Intermediate Similarity NPC473974
0.7674 Intermediate Similarity NPC258366
0.7674 Intermediate Similarity NPC31296
0.7667 Intermediate Similarity NPC276815
0.7667 Intermediate Similarity NPC25850
0.7664 Intermediate Similarity NPC242358
0.7664 Intermediate Similarity NPC246693
0.7664 Intermediate Similarity NPC110609
0.7664 Intermediate Similarity NPC477407
0.7664 Intermediate Similarity NPC309430
0.766 Intermediate Similarity NPC138099
0.766 Intermediate Similarity NPC242994
0.7655 Intermediate Similarity NPC477208
0.7655 Intermediate Similarity NPC143685
0.7652 Intermediate Similarity NPC174991
0.7652 Intermediate Similarity NPC275145
0.7647 Intermediate Similarity NPC199253
0.7647 Intermediate Similarity NPC147757
0.7647 Intermediate Similarity NPC31799
0.7647 Intermediate Similarity NPC136588
0.7647 Intermediate Similarity NPC253488
0.7643 Intermediate Similarity NPC53414
0.7643 Intermediate Similarity NPC53206
0.7643 Intermediate Similarity NPC471905
0.7643 Intermediate Similarity NPC245058
0.7643 Intermediate Similarity NPC471452
0.7643 Intermediate Similarity NPC277559
0.7643 Intermediate Similarity NPC49911
0.7639 Intermediate Similarity NPC471906
0.7639 Intermediate Similarity NPC244691
0.7639 Intermediate Similarity NPC471451
0.7634 Intermediate Similarity NPC120545
0.7634 Intermediate Similarity NPC253627
0.763 Intermediate Similarity NPC282923
0.763 Intermediate Similarity NPC247250
0.763 Intermediate Similarity NPC767
0.763 Intermediate Similarity NPC193203
0.763 Intermediate Similarity NPC229894
0.7626 Intermediate Similarity NPC290803
0.7626 Intermediate Similarity NPC283088
0.7626 Intermediate Similarity NPC475917
0.7622 Intermediate Similarity NPC85310
0.7616 Intermediate Similarity NPC283301
0.7615 Intermediate Similarity NPC190501
0.7615 Intermediate Similarity NPC318552
0.7612 Intermediate Similarity NPC160499
0.7612 Intermediate Similarity NPC231774
0.7609 Intermediate Similarity NPC254603
0.7609 Intermediate Similarity NPC310662

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC12818 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
0.7812 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7698 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7615 Intermediate Similarity NPD3019 Approved
0.7615 Intermediate Similarity NPD2932 Approved
0.7586 Intermediate Similarity NPD2532 Approved
0.7586 Intermediate Similarity NPD2533 Approved
0.7586 Intermediate Similarity NPD2534 Approved
0.75 Intermediate Similarity NPD1201 Approved
0.7407 Intermediate Similarity NPD1470 Approved
0.7279 Intermediate Similarity NPD7390 Discontinued
0.723 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7183 Intermediate Similarity NPD6651 Approved
0.7176 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.7153 Intermediate Similarity NPD5404 Approved
0.7153 Intermediate Similarity NPD5406 Approved
0.7153 Intermediate Similarity NPD5405 Approved
0.7153 Intermediate Similarity NPD5408 Approved
0.7123 Intermediate Similarity NPD2800 Approved
0.7092 Intermediate Similarity NPD6663 Approved
0.7068 Intermediate Similarity NPD3091 Approved
0.705 Intermediate Similarity NPD5736 Approved
0.7037 Intermediate Similarity NPD3026 Approved
0.7037 Intermediate Similarity NPD3023 Approved
0.7015 Intermediate Similarity NPD3024 Approved
0.7015 Intermediate Similarity NPD3025 Approved
0.6985 Remote Similarity NPD3092 Approved
0.6966 Remote Similarity NPD651 Clinical (unspecified phase)
0.6963 Remote Similarity NPD3412 Clinical (unspecified phase)
0.694 Remote Similarity NPD9545 Approved
0.6923 Remote Similarity NPD943 Approved
0.6901 Remote Similarity NPD1699 Clinical (unspecified phase)
0.6885 Remote Similarity NPD1809 Phase 2
0.6875 Remote Similarity NPD5710 Approved
0.6875 Remote Similarity NPD5711 Approved
0.6875 Remote Similarity NPD9265 Clinical (unspecified phase)
0.6846 Remote Similarity NPD7003 Approved
0.6846 Remote Similarity NPD4628 Phase 3
0.6842 Remote Similarity NPD6273 Approved
0.6838 Remote Similarity NPD4626 Approved
0.6828 Remote Similarity NPD1607 Approved
0.6824 Remote Similarity NPD970 Clinical (unspecified phase)
0.6813 Remote Similarity NPD6959 Discontinued
0.6812 Remote Similarity NPD3972 Approved
0.6786 Remote Similarity NPD3094 Phase 2
0.6767 Remote Similarity NPD5951 Approved
0.6765 Remote Similarity NPD1651 Approved
0.6715 Remote Similarity NPD4059 Approved
0.6715 Remote Similarity NPD3095 Discontinued
0.6714 Remote Similarity NPD1283 Approved
0.6714 Remote Similarity NPD1876 Approved
0.671 Remote Similarity NPD7458 Discontinued
0.669 Remote Similarity NPD1240 Approved
0.6689 Remote Similarity NPD7910 Clinical (unspecified phase)
0.6689 Remote Similarity NPD6099 Approved
0.6689 Remote Similarity NPD6100 Approved
0.6667 Remote Similarity NPD6232 Discontinued
0.6667 Remote Similarity NPD3764 Approved
0.6667 Remote Similarity NPD7421 Clinical (unspecified phase)
0.6667 Remote Similarity NPD1164 Approved
0.6646 Remote Similarity NPD7819 Suspended
0.6646 Remote Similarity NPD7473 Discontinued
0.6644 Remote Similarity NPD2346 Discontinued
0.6644 Remote Similarity NPD230 Phase 1
0.6643 Remote Similarity NPD1755 Approved
0.6642 Remote Similarity NPD5691 Approved
0.6622 Remote Similarity NPD1510 Phase 2
0.6617 Remote Similarity NPD7635 Approved
0.6613 Remote Similarity NPD844 Approved
0.6603 Remote Similarity NPD3226 Approved
0.6596 Remote Similarity NPD6696 Suspended
0.6577 Remote Similarity NPD2935 Discontinued
0.6573 Remote Similarity NPD9494 Approved
0.6573 Remote Similarity NPD4208 Discontinued
0.6571 Remote Similarity NPD9269 Phase 2
0.6567 Remote Similarity NPD1398 Phase 1
0.656 Remote Similarity NPD288 Approved
0.6558 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6558 Remote Similarity NPD4378 Clinical (unspecified phase)
0.6541 Remote Similarity NPD6124 Clinical (unspecified phase)
0.6541 Remote Similarity NPD2393 Clinical (unspecified phase)
0.6536 Remote Similarity NPD7236 Approved
0.6536 Remote Similarity NPD3300 Phase 2
0.6535 Remote Similarity NPD289 Clinical (unspecified phase)
0.6533 Remote Similarity NPD2344 Approved
0.6532 Remote Similarity NPD1432 Clinical (unspecified phase)
0.6522 Remote Similarity NPD9268 Approved
0.6515 Remote Similarity NPD4750 Phase 3
0.6513 Remote Similarity NPD8166 Discontinued
0.651 Remote Similarity NPD3299 Clinical (unspecified phase)
0.65 Remote Similarity NPD1281 Approved
0.6496 Remote Similarity NPD7610 Discontinued
0.6489 Remote Similarity NPD2342 Discontinued
0.6483 Remote Similarity NPD5952 Clinical (unspecified phase)
0.6475 Remote Similarity NPD1778 Approved
0.6475 Remote Similarity NPD7163 Clinical (unspecified phase)
0.6467 Remote Similarity NPD5844 Phase 1
0.6466 Remote Similarity NPD4141 Clinical (unspecified phase)
0.6456 Remote Similarity NPD4380 Phase 2
0.6452 Remote Similarity NPD845 Approved
0.6444 Remote Similarity NPD7159 Clinical (unspecified phase)
0.6439 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6433 Remote Similarity NPD7239 Suspended
0.6424 Remote Similarity NPD1550 Clinical (unspecified phase)
0.6424 Remote Similarity NPD1552 Clinical (unspecified phase)
0.6423 Remote Similarity NPD7340 Approved
0.6423 Remote Similarity NPD9493 Approved
0.6414 Remote Similarity NPD4207 Discontinued
0.6405 Remote Similarity NPD6398 Clinical (unspecified phase)
0.64 Remote Similarity NPD2799 Discontinued
0.6398 Remote Similarity NPD8443 Clinical (unspecified phase)
0.6398 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6395 Remote Similarity NPD8032 Phase 2
0.6392 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6007 Clinical (unspecified phase)
0.6389 Remote Similarity NPD6917 Clinical (unspecified phase)
0.6385 Remote Similarity NPD1237 Approved
0.6382 Remote Similarity NPD1549 Phase 2
0.637 Remote Similarity NPD7008 Discontinued
0.6364 Remote Similarity NPD2309 Approved
0.6358 Remote Similarity NPD3882 Suspended
0.6357 Remote Similarity NPD846 Approved
0.6357 Remote Similarity NPD940 Approved
0.6352 Remote Similarity NPD6599 Discontinued
0.6351 Remote Similarity NPD3620 Phase 2
0.6351 Remote Similarity NPD3619 Clinical (unspecified phase)
0.6351 Remote Similarity NPD4140 Approved
0.6346 Remote Similarity NPD7410 Clinical (unspecified phase)
0.6335 Remote Similarity NPD5761 Phase 2
0.6335 Remote Similarity NPD5760 Phase 2
0.6327 Remote Similarity NPD7985 Registered
0.6316 Remote Similarity NPD6002 Phase 3
0.6316 Remote Similarity NPD6005 Phase 3
0.6316 Remote Similarity NPD74 Approved
0.6316 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6316 Remote Similarity NPD6004 Phase 3
0.6316 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6316 Remote Similarity NPD9266 Approved
0.6316 Remote Similarity NPD2343 Clinical (unspecified phase)
0.6303 Remote Similarity NPD8127 Discontinued
0.6299 Remote Similarity NPD3750 Approved
0.6296 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6276 Remote Similarity NPD4624 Approved
0.6273 Remote Similarity NPD1934 Approved
0.6264 Remote Similarity NPD8150 Discontinued
0.6257 Remote Similarity NPD3658 Clinical (unspecified phase)
0.625 Remote Similarity NPD2796 Approved
0.625 Remote Similarity NPD7028 Phase 2
0.6242 Remote Similarity NPD2979 Phase 3
0.6241 Remote Similarity NPD9267 Approved
0.6241 Remote Similarity NPD9263 Approved
0.6241 Remote Similarity NPD9264 Approved
0.6235 Remote Similarity NPD2801 Approved
0.6224 Remote Similarity NPD1608 Approved
0.6222 Remote Similarity NPD2181 Clinical (unspecified phase)
0.622 Remote Similarity NPD7075 Discontinued
0.6216 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6215 Remote Similarity NPD7879 Clinical (unspecified phase)
0.6214 Remote Similarity NPD7009 Phase 2
0.6213 Remote Similarity NPD7177 Discontinued
0.6211 Remote Similarity NPD7411 Suspended
0.6209 Remote Similarity NPD5763 Approved
0.6209 Remote Similarity NPD1471 Phase 3
0.6209 Remote Similarity NPD5762 Approved
0.6202 Remote Similarity NPD3020 Approved
0.62 Remote Similarity NPD5735 Approved
0.6197 Remote Similarity NPD7457 Clinical (unspecified phase)
0.6194 Remote Similarity NPD1878 Clinical (unspecified phase)
0.6193 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6184 Remote Similarity NPD7742 Approved
0.6184 Remote Similarity NPD7743 Approved
0.6181 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6178 Remote Similarity NPD1511 Approved
0.6176 Remote Similarity NPD6020 Phase 2
0.6174 Remote Similarity NPD7961 Discontinued
0.6173 Remote Similarity NPD6801 Discontinued
0.6173 Remote Similarity NPD37 Approved
0.6164 Remote Similarity NPD2798 Approved
0.6164 Remote Similarity NPD920 Approved
0.6163 Remote Similarity NPD6559 Discontinued
0.6159 Remote Similarity NPD2629 Approved
0.6159 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6159 Remote Similarity NPD4097 Suspended
0.6145 Remote Similarity NPD5494 Approved
0.6145 Remote Similarity NPD6534 Approved
0.6145 Remote Similarity NPD6535 Approved
0.6144 Remote Similarity NPD4476 Approved
0.6144 Remote Similarity NPD4477 Approved
0.6142 Remote Similarity NPD1693 Approved
0.6135 Remote Similarity NPD1465 Phase 2
0.6135 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6133 Remote Similarity NPD4060 Phase 1
0.6129 Remote Similarity NPD1243 Approved
0.6127 Remote Similarity NPD1751 Approved
0.6122 Remote Similarity NPD4212 Discontinued
0.6122 Remote Similarity NPD2861 Phase 2
0.6121 Remote Similarity NPD3749 Approved
0.6118 Remote Similarity NPD3818 Discontinued
0.6111 Remote Similarity NPD4878 Approved
0.6108 Remote Similarity NPD7199 Phase 2
0.6107 Remote Similarity NPD2313 Discontinued

Structure

External Identifiers

PubChem CID   3085044
ChEMBL   CHEMBL261243
ZINC  

Physicochemical Properties

Molecular Weight:  248.14
ALogP:  1.7372
MLogP:  2.78
XLogP:  1.269
# Rotatable Bonds:  8
Polar Surface Area:  57.53
# H-Bond Aceptor:  2
# H-Bond Donor:  2
# Rings:  2
# Heavy Atoms:  18

Download Data

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Biological Activities  
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