Drug Information

Drug ID:  NPD154
Drug Name:  Suritozole
Molecular Formula:  C10H10FN3S
Canonical SMILES:  Fc1cccc(c1)c1nn(c(=S)n1C)C
Standard InCHI:  InChI=1S/C10H10FN3S/c1-13-9(12-14(2)10(13)15)7-4-3-5-8(11)6-7/h3-6H,1-2H3
Standard InCHIKey:  IWDUZEHNLHFBRZ-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD154

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 0.7083 NPC98976
Intermediate Similarity 0.701 NPC271642
Remote Similarity 0.6852 NPC469330
Remote Similarity 0.6852 NPC322040
Remote Similarity 0.6804 NPC299134
Remote Similarity 0.67 NPC12857
Remote Similarity 0.6697 NPC7067
Remote Similarity 0.6609 NPC469974
Remote Similarity 0.6557 NPC288232
Remote Similarity 0.6538 NPC104070
Remote Similarity 0.6531 NPC244738
Remote Similarity 0.6429 NPC471320
Remote Similarity 0.6429 NPC471319
Remote Similarity 0.6387 NPC164802
Remote Similarity 0.6339 NPC108339
Remote Similarity 0.626 NPC187036
Remote Similarity 0.626 NPC296163
Remote Similarity 0.625 NPC471309
Remote Similarity 0.6226 NPC474088
Remote Similarity 0.6176 NPC139658
Remote Similarity 0.6168 NPC169016
Remote Similarity 0.6162 NPC219246
Remote Similarity 0.6154 NPC329375
Remote Similarity 0.6147 NPC473031
Remote Similarity 0.6129 NPC314141
Remote Similarity 0.6117 NPC325662
Remote Similarity 0.6117 NPC98269
Remote Similarity 0.6071 NPC470926
Remote Similarity 0.6063 NPC192209
Remote Similarity 0.6055 NPC258046
Remote Similarity 0.6038 NPC231986
Remote Similarity 0.6036 NPC470877
Remote Similarity 0.5982 NPC121872
Remote Similarity 0.5982 NPC78041
Remote Similarity 0.5982 NPC159178
Remote Similarity 0.5982 NPC74936
Remote Similarity 0.5982 NPC209764
Remote Similarity 0.5982 NPC471307
Remote Similarity 0.5982 NPC141139
Remote Similarity 0.5877 NPC473661
Remote Similarity 0.5868 NPC143516
Remote Similarity 0.5842 NPC229235
Remote Similarity 0.5841 NPC476160
Remote Similarity 0.5841 NPC316108
Remote Similarity 0.584 NPC475013
Remote Similarity 0.5825 NPC112609
Remote Similarity 0.5825 NPC113000
Remote Similarity 0.5825 NPC122327
Remote Similarity 0.5821 NPC52764
Remote Similarity 0.582 NPC474973
Remote Similarity 0.582 NPC474804
Remote Similarity 0.582 NPC130898
Remote Similarity 0.5794 NPC475289
Remote Similarity 0.5794 NPC475573
Remote Similarity 0.5784 NPC121708
Remote Similarity 0.5784 NPC125144
Remote Similarity 0.578 NPC119677
Remote Similarity 0.5769 NPC264580
Remote Similarity 0.5769 NPC276699
Remote Similarity 0.575 NPC291610
Remote Similarity 0.5748 NPC476048
Remote Similarity 0.5738 NPC474695
Remote Similarity 0.5726 NPC473676
Remote Similarity 0.5714 NPC471638
Remote Similarity 0.5702 NPC78154
Remote Similarity 0.5692 NPC313449
Remote Similarity 0.5691 NPC471447
Remote Similarity 0.569 NPC71140
Remote Similarity 0.5672 NPC283130
Remote Similarity 0.5672 NPC328683
Remote Similarity 0.5664 NPC12429
Remote Similarity 0.566 NPC290638
Remote Similarity 0.5652 NPC245259
Remote Similarity 0.5641 NPC329430
Remote Similarity 0.5625 NPC203076
Remote Similarity 0.562 NPC239854
Remote Similarity 0.56 NPC302790

Drug Structure

External Identifiers

TTD   DIB016076
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  223.06
ALogP  0.9904
MLogP  2.01
XLogP  3.339
HDA  3
HBD  0
Rotatable Bonds  4
TPSA  50.93
RO5 Violation  0