Drug Information

Drug ID:  NPD1474
Drug Name:  
Molecular Formula:  C14H9Cl3N2OS
Canonical SMILES:  CSc1[nH]c2c(n1)cc(c(c2)Cl)Oc1cccc(c1Cl)Cl
Standard InCHI:  InChI=1S/C14H9Cl3N2OS/c1-21-14-18-9-5-8(16)12(6-10(9)19-14)20-11-4-2-3-7(15)13(11)17/h2-6H,1H3,(H,18,19)
Standard InCHIKey:  NQPDXQQQCQDHHW-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1474

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 0.7119 NPC316756
Intermediate Similarity 0.7004 NPC187145
Remote Similarity 0.6779 NPC285635
Remote Similarity 0.6558 NPC258773
Remote Similarity 0.6484 NPC56271
Remote Similarity 0.6389 NPC1527
Remote Similarity 0.6351 NPC118776
Remote Similarity 0.6226 NPC36168
Remote Similarity 0.6197 NPC121772
Remote Similarity 0.619 NPC131017
Remote Similarity 0.6186 NPC162484
Remote Similarity 0.6184 NPC110741
Remote Similarity 0.617 NPC232727
Remote Similarity 0.6164 NPC70259
Remote Similarity 0.6154 NPC42483
Remote Similarity 0.615 NPC84478
Remote Similarity 0.6128 NPC176538
Remote Similarity 0.6121 NPC205934
Remote Similarity 0.6121 NPC43787
Remote Similarity 0.6118 NPC223427
Remote Similarity 0.6111 NPC72211
Remote Similarity 0.6106 NPC176127
Remote Similarity 0.6098 NPC216159
Remote Similarity 0.6085 NPC39092
Remote Similarity 0.6073 NPC86078
Remote Similarity 0.6058 NPC201697
Remote Similarity 0.6033 NPC123976
Remote Similarity 0.6033 NPC167860
Remote Similarity 0.6032 NPC315822
Remote Similarity 0.6017 NPC471593
Remote Similarity 0.6008 NPC475085
Remote Similarity 0.6008 NPC475112
Remote Similarity 0.6008 NPC291535
Remote Similarity 0.6008 NPC135887
Remote Similarity 0.6008 NPC199277
Remote Similarity 0.5992 NPC315957
Remote Similarity 0.5984 NPC48353
Remote Similarity 0.5984 NPC471603
Remote Similarity 0.5976 NPC166655
Remote Similarity 0.5969 NPC30540
Remote Similarity 0.5966 NPC476044
Remote Similarity 0.5966 NPC267423
Remote Similarity 0.5962 NPC114209
Remote Similarity 0.5952 NPC227908
Remote Similarity 0.5946 NPC471614
Remote Similarity 0.5932 NPC243834
Remote Similarity 0.5932 NPC70956
Remote Similarity 0.5927 NPC197141
Remote Similarity 0.5924 NPC19872
Remote Similarity 0.5909 NPC193777
Remote Similarity 0.5904 NPC193267
Remote Similarity 0.5904 NPC213530
Remote Similarity 0.59 NPC470586
Remote Similarity 0.589 NPC13880
Remote Similarity 0.5885 NPC476465
Remote Similarity 0.5882 NPC18487
Remote Similarity 0.5868 NPC471736
Remote Similarity 0.5868 NPC476106
Remote Similarity 0.5867 NPC474409
Remote Similarity 0.5867 NPC314557
Remote Similarity 0.5864 NPC120798
Remote Similarity 0.5858 NPC329747
Remote Similarity 0.5837 NPC79911
Remote Similarity 0.5837 NPC296527
Remote Similarity 0.5826 NPC285558
Remote Similarity 0.5815 NPC315715
Remote Similarity 0.5812 NPC76748
Remote Similarity 0.5806 NPC50511
Remote Similarity 0.5805 NPC84853
Remote Similarity 0.5794 NPC60621
Remote Similarity 0.5794 NPC310118
Remote Similarity 0.5787 NPC92111
Remote Similarity 0.5781 NPC66777
Remote Similarity 0.5781 NPC471762
Remote Similarity 0.5769 NPC242928
Remote Similarity 0.5758 NPC471609
Remote Similarity 0.5755 NPC308392
Remote Similarity 0.575 NPC187558
Remote Similarity 0.5749 NPC242923
Remote Similarity 0.5745 NPC134079
Remote Similarity 0.5742 NPC157931
Remote Similarity 0.5738 NPC307963
Remote Similarity 0.5731 NPC477532
Remote Similarity 0.5726 NPC329793
Remote Similarity 0.572 NPC245816
Remote Similarity 0.572 NPC476138
Remote Similarity 0.572 NPC252251
Remote Similarity 0.5714 NPC249583
Remote Similarity 0.5714 NPC4687
Remote Similarity 0.5708 NPC476518
Remote Similarity 0.5703 NPC469592
Remote Similarity 0.5703 NPC476287
Remote Similarity 0.5703 NPC471080
Remote Similarity 0.5703 NPC153467
Remote Similarity 0.5698 NPC209174
Remote Similarity 0.5697 NPC470930
Remote Similarity 0.5696 NPC88363
Remote Similarity 0.5696 NPC72980
Remote Similarity 0.5692 NPC477533
Remote Similarity 0.569 NPC212535
Remote Similarity 0.569 NPC251090
Remote Similarity 0.569 NPC242209
Remote Similarity 0.5686 NPC122436
Remote Similarity 0.5683 NPC14651
Remote Similarity 0.5683 NPC121658
Remote Similarity 0.5681 NPC110151
Remote Similarity 0.568 NPC470549
Remote Similarity 0.5676 NPC477531
Remote Similarity 0.5676 NPC160666
Remote Similarity 0.5675 NPC46561
Remote Similarity 0.5673 NPC45190
Remote Similarity 0.5673 NPC300156
Remote Similarity 0.5668 NPC185782
Remote Similarity 0.566 NPC206251
Remote Similarity 0.566 NPC171393
Remote Similarity 0.566 NPC74382
Remote Similarity 0.566 NPC295452
Remote Similarity 0.5658 NPC111624
Remote Similarity 0.5657 NPC148183
Remote Similarity 0.5657 NPC152768
Remote Similarity 0.5657 NPC170114
Remote Similarity 0.5652 NPC308906
Remote Similarity 0.5647 NPC144114
Remote Similarity 0.5647 NPC474798
Remote Similarity 0.5647 NPC161887
Remote Similarity 0.5645 NPC113369
Remote Similarity 0.5641 NPC94943
Remote Similarity 0.5636 NPC224327
Remote Similarity 0.5633 NPC95898
Remote Similarity 0.5631 NPC26850
Remote Similarity 0.5628 NPC475910
Remote Similarity 0.5625 NPC130570
Remote Similarity 0.5622 NPC208284
Remote Similarity 0.5622 NPC87413
Remote Similarity 0.562 NPC128823
Remote Similarity 0.5613 NPC469594
Remote Similarity 0.5608 NPC198503
Remote Similarity 0.5607 NPC475190
Remote Similarity 0.5605 NPC209769
Remote Similarity 0.5605 NPC174672
Remote Similarity 0.5602 NPC153042
Remote Similarity 0.56 NPC26679
Remote Similarity 0.56 NPC308137
Remote Similarity 0.56 NPC316981
Remote Similarity 0.56 NPC310211
Remote Similarity 0.56 NPC294620

Drug Structure

External Identifiers

TTD   DNC010893
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   50248
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  357.95
ALogP  2.3513
MLogP  2.23
XLogP  4.656
HDA  2
HBD  1
Rotatable Bonds  7
TPSA  63.21
RO5 Violation  0