Drug Information

Drug ID:  NPD8597
Drug Name:  Succimer
Molecular Formula:  C4H6O4S2
Canonical SMILES:  S[C@H]([C@@H](C(=O)O)S)C(=O)O
Standard InCHI:  InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+
Standard InCHIKey:  ACTRVOBWPAIOHC-XIXRPRMCSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD8597

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 0.7941 NPC16947
Intermediate Similarity 0.7879 NPC236709
Intermediate Similarity 0.7576 NPC320704
Remote Similarity 0.6579 NPC14778
Remote Similarity 0.65 NPC1037
Remote Similarity 0.6486 NPC198126
Remote Similarity 0.6429 NPC329545
Remote Similarity 0.6389 NPC319333
Remote Similarity 0.6341 NPC321569
Remote Similarity 0.6286 NPC149209
Remote Similarity 0.6216 NPC180423
Remote Similarity 0.6 NPC7814
Remote Similarity 0.5957 NPC166287
Remote Similarity 0.5957 NPC49952
Remote Similarity 0.5957 NPC136476
Remote Similarity 0.5952 NPC317945
Remote Similarity 0.5909 NPC240109
Remote Similarity 0.5854 NPC316685
Remote Similarity 0.5814 NPC128713
Remote Similarity 0.58 NPC125736
Remote Similarity 0.5789 NPC61066
Remote Similarity 0.5789 NPC292641
Remote Similarity 0.5789 NPC104195
Remote Similarity 0.5789 NPC122768
Remote Similarity 0.5789 NPC174368
Remote Similarity 0.5789 NPC151140
Remote Similarity 0.5778 NPC100742
Remote Similarity 0.5778 NPC19044
Remote Similarity 0.5778 NPC24751
Remote Similarity 0.5778 NPC192402
Remote Similarity 0.5778 NPC97444
Remote Similarity 0.5778 NPC121018
Remote Similarity 0.575 NPC108238
Remote Similarity 0.575 NPC18224
Remote Similarity 0.575 NPC328710
Remote Similarity 0.575 NPC125575
Remote Similarity 0.5676 NPC283626
Remote Similarity 0.5652 NPC169098
Remote Similarity 0.5641 NPC320981
Remote Similarity 0.5625 NPC213876
Remote Similarity 0.5625 NPC185755

Drug Structure

External Identifiers

TTD   DIB003619
DrugBank   DB00566
ChEMBL   CHEMBL1201073
IUPHAR/BPS  
PharmaGKB   PA451521
KEGG Drug   D00572
PubChem CID  
ChEBI   63623
CAS Number  304-55-2

Drug Properties

Molecular Weight  181.97
ALogP  0.2282
MLogP  1.24
XLogP  -0.342
HDA  4
HBD  2
Rotatable Bonds  7
TPSA  152.2
RO5 Violation  0