Drug Information

Drug ID:  NPD1757
Drug Name:  SDZ-NVI-085
Molecular Formula:  C15H21NO2S
Canonical SMILES:  COc1ccc(c2c1C[C@H]1N(C)CCO[C@@H]1C2)SC
Standard InCHI:  InChI=1S/C15H21NO2S/c1-16-6-7-18-14-9-11-10(8-12(14)16)13(17-2)4-5-15(11)19-3/h4-5,12,14H,6-9H2,1-3H3/t12-,14-/m1/s1
Standard InCHIKey:  SLMAGYSTRWJTMF-TZMCWYRMSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1757

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
Intermediate Similarity 0.7365 NPC180756
Intermediate Similarity 0.7365 NPC323443
Intermediate Similarity 0.7244 NPC325568
Intermediate Similarity 0.7095 NPC220961
Intermediate Similarity 0.7069 NPC124657
Intermediate Similarity 0.7018 NPC476572
Intermediate Similarity 0.7 NPC325871
Intermediate Similarity 0.7 NPC99659
Remote Similarity 0.6975 NPC314682
Remote Similarity 0.6933 NPC188163
Remote Similarity 0.6933 NPC213206
Remote Similarity 0.6933 NPC328750
Remote Similarity 0.6933 NPC474915
Remote Similarity 0.6933 NPC470925
Remote Similarity 0.6923 NPC326316
Remote Similarity 0.6923 NPC81733
Remote Similarity 0.6906 NPC126284
Remote Similarity 0.6906 NPC267408
Remote Similarity 0.6886 NPC476151
Remote Similarity 0.6886 NPC16107
Remote Similarity 0.6886 NPC210437
Remote Similarity 0.6886 NPC51957
Remote Similarity 0.6886 NPC106295
Remote Similarity 0.6886 NPC476144
Remote Similarity 0.6885 NPC156576
Remote Similarity 0.6867 NPC110337
Remote Similarity 0.6865 NPC237579
Remote Similarity 0.6857 NPC1229
Remote Similarity 0.6852 NPC231163
Remote Similarity 0.6852 NPC318591
Remote Similarity 0.6845 NPC7467
Remote Similarity 0.6835 NPC160193
Remote Similarity 0.6831 NPC248642
Remote Similarity 0.6818 NPC225774
Remote Similarity 0.6818 NPC169743
Remote Similarity 0.6805 NPC477565
Remote Similarity 0.6805 NPC103379
Remote Similarity 0.6802 NPC244112
Remote Similarity 0.6802 NPC123323
Remote Similarity 0.6782 NPC59028
Remote Similarity 0.6782 NPC92191
Remote Similarity 0.678 NPC476432
Remote Similarity 0.678 NPC219341
Remote Similarity 0.678 NPC24264
Remote Similarity 0.6778 NPC2314
Remote Similarity 0.6774 NPC217277
Remote Similarity 0.6766 NPC185838
Remote Similarity 0.6766 NPC130926
Remote Similarity 0.6761 NPC218614
Remote Similarity 0.6747 NPC128019
Remote Similarity 0.6747 NPC136860
Remote Similarity 0.6747 NPC476567
Remote Similarity 0.6742 NPC145832
Remote Similarity 0.6742 NPC117188
Remote Similarity 0.6742 NPC158376
Remote Similarity 0.6742 NPC205421
Remote Similarity 0.6742 NPC474931
Remote Similarity 0.6742 NPC306555
Remote Similarity 0.6742 NPC247389
Remote Similarity 0.6742 NPC12053
Remote Similarity 0.6742 NPC81218
Remote Similarity 0.6742 NPC150879
Remote Similarity 0.6723 NPC167546
Remote Similarity 0.6723 NPC306843
Remote Similarity 0.6723 NPC136508
Remote Similarity 0.6723 NPC13504
Remote Similarity 0.6723 NPC253043
Remote Similarity 0.6723 NPC78222
Remote Similarity 0.6723 NPC212794
Remote Similarity 0.6723 NPC477563
Remote Similarity 0.6723 NPC196447
Remote Similarity 0.6723 NPC302527
Remote Similarity 0.6723 NPC16805
Remote Similarity 0.6723 NPC247972
Remote Similarity 0.6723 NPC96603
Remote Similarity 0.6721 NPC99179
Remote Similarity 0.6704 NPC130921
Remote Similarity 0.6686 NPC28414
Remote Similarity 0.6686 NPC321505
Remote Similarity 0.6686 NPC298924
Remote Similarity 0.6686 NPC191376
Remote Similarity 0.6686 NPC203424
Remote Similarity 0.6686 NPC206372
Remote Similarity 0.6686 NPC179825
Remote Similarity 0.6685 NPC115906
Remote Similarity 0.6667 NPC189908
Remote Similarity 0.6667 NPC126519
Remote Similarity 0.6667 NPC170503
Remote Similarity 0.6667 NPC203784
Remote Similarity 0.6667 NPC307020
Remote Similarity 0.6667 NPC324144
Remote Similarity 0.6667 NPC211218
Remote Similarity 0.6648 NPC160298
Remote Similarity 0.6648 NPC477559
Remote Similarity 0.6648 NPC306902
Remote Similarity 0.6648 NPC271388
Remote Similarity 0.6648 NPC27410
Remote Similarity 0.6648 NPC210918
Remote Similarity 0.6648 NPC119649
Remote Similarity 0.6648 NPC329969
Remote Similarity 0.6648 NPC205255
Remote Similarity 0.6648 NPC252960
Remote Similarity 0.6648 NPC230956
Remote Similarity 0.6648 NPC266753
Remote Similarity 0.6648 NPC235143
Remote Similarity 0.6648 NPC166014
Remote Similarity 0.6648 NPC232924
Remote Similarity 0.6647 NPC246587
Remote Similarity 0.6647 NPC135538
Remote Similarity 0.6647 NPC261940
Remote Similarity 0.6647 NPC428
Remote Similarity 0.6647 NPC24233
Remote Similarity 0.6647 NPC475959
Remote Similarity 0.6647 NPC147390
Remote Similarity 0.6647 NPC476571
Remote Similarity 0.6646 NPC253429
Remote Similarity 0.6646 NPC118419
Remote Similarity 0.6631 NPC214116
Remote Similarity 0.6629 NPC129603
Remote Similarity 0.6627 NPC473934
Remote Similarity 0.6623 NPC321133
Remote Similarity 0.6612 NPC241704
Remote Similarity 0.6611 NPC204908
Remote Similarity 0.6611 NPC158148
Remote Similarity 0.6611 NPC266176
Remote Similarity 0.6611 NPC290759
Remote Similarity 0.6611 NPC82533
Remote Similarity 0.6611 NPC83198
Remote Similarity 0.661 NPC79402
Remote Similarity 0.661 NPC80759
Remote Similarity 0.661 NPC94292
Remote Similarity 0.6609 NPC189266
Remote Similarity 0.6609 NPC54379
Remote Similarity 0.6609 NPC216459
Remote Similarity 0.6609 NPC5238
Remote Similarity 0.6609 NPC2413
Remote Similarity 0.6609 NPC204828
Remote Similarity 0.6609 NPC172765
Remote Similarity 0.6609 NPC39701
Remote Similarity 0.6609 NPC41178
Remote Similarity 0.6609 NPC249797
Remote Similarity 0.6609 NPC184026
Remote Similarity 0.6609 NPC110416
Remote Similarity 0.6609 NPC295691
Remote Similarity 0.6609 NPC138487
Remote Similarity 0.6609 NPC193949
Remote Similarity 0.6609 NPC278799
Remote Similarity 0.6609 NPC469817
Remote Similarity 0.6609 NPC207757
Remote Similarity 0.6609 NPC127674
Remote Similarity 0.6609 NPC276588
Remote Similarity 0.6595 NPC305847
Remote Similarity 0.6592 NPC13916
Remote Similarity 0.6592 NPC264850
Remote Similarity 0.6591 NPC7393
Remote Similarity 0.6591 NPC221864
Remote Similarity 0.6591 NPC329640
Remote Similarity 0.659 NPC470924
Remote Similarity 0.6588 NPC95075
Remote Similarity 0.6588 NPC253883
Remote Similarity 0.6588 NPC90844
Remote Similarity 0.6588 NPC144863
Remote Similarity 0.6578 NPC214629
Remote Similarity 0.6576 NPC294790
Remote Similarity 0.6576 NPC148693
Remote Similarity 0.6576 NPC118633
Remote Similarity 0.6575 NPC75958
Remote Similarity 0.6575 NPC168753
Remote Similarity 0.6575 NPC118274
Remote Similarity 0.6573 NPC233650
Remote Similarity 0.6571 NPC146288
Remote Similarity 0.657 NPC274026
Remote Similarity 0.6568 NPC226601
Remote Similarity 0.6568 NPC69623
Remote Similarity 0.6562 NPC66909
Remote Similarity 0.6559 NPC302449
Remote Similarity 0.6559 NPC476575
Remote Similarity 0.6559 NPC233718
Remote Similarity 0.6556 NPC204947
Remote Similarity 0.6554 NPC249274
Remote Similarity 0.6552 NPC477564
Remote Similarity 0.6552 NPC2295
Remote Similarity 0.655 NPC59907
Remote Similarity 0.655 NPC37144
Remote Similarity 0.6541 NPC244554
Remote Similarity 0.6541 NPC32154
Remote Similarity 0.6538 NPC225597
Remote Similarity 0.6538 NPC19520
Remote Similarity 0.6538 NPC239775
Remote Similarity 0.6538 NPC198498
Remote Similarity 0.6538 NPC65403
Remote Similarity 0.6538 NPC227060
Remote Similarity 0.6538 NPC317439
Remote Similarity 0.6538 NPC317145
Remote Similarity 0.6538 NPC477640
Remote Similarity 0.6538 NPC115284
Remote Similarity 0.6538 NPC63646
Remote Similarity 0.6538 NPC76682
Remote Similarity 0.6538 NPC276890
Remote Similarity 0.6538 NPC149090

Drug Structure

External Identifiers

TTD   DIB003479
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  279.13
ALogP  0.6497
MLogP  2.67
XLogP  2.13
HDA  2
HBD  0
Rotatable Bonds  5
TPSA  47
RO5 Violation  0