Drug Information

Drug ID:  NPD9111
Drug Name:  Carboplatin
Molecular Formula:  C6H8O4.2H3N.Pt
Canonical SMILES:  [O-]C(=O)C1(CCC1)C(=O)[O-].N.N.[Pt+2]
Standard InCHI:  InChI=1S/C6H8O4.2H3N.Pt/c7-4(8)6(5(9)10)2-1-3-6;;;/h1-3H2,(H,7,8)(H,9,10);2*1H3;/q;;;+2/p-2
Standard InCHIKey:  OLESAACUTLOWQZ-UHFFFAOYSA-L
Max Developmental Stage:  Approved
Max Developmental Stage Source:  DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9111

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
Remote Similarity 0.6222 NPC310220
Remote Similarity 0.6154 NPC328569
Remote Similarity 0.6047 NPC325454
Remote Similarity 0.5897 NPC241404
Remote Similarity 0.587 NPC325102
Remote Similarity 0.5814 NPC252843
Remote Similarity 0.5789 NPC55956
Remote Similarity 0.5682 NPC38930
Remote Similarity 0.5676 NPC3343
Remote Similarity 0.5641 NPC174368
Remote Similarity 0.5641 NPC248139
Remote Similarity 0.561 NPC18224
Remote Similarity 0.561 NPC328710
Remote Similarity 0.561 NPC125575

Drug Structure

External Identifiers

TTD   DAP000535
DrugBank   DB00958
ChEMBL   CHEMBL1351
IUPHAR/BPS  
PharmaGKB   PA448803
KEGG Drug   D01363
PubChem CID  
ChEBI   31355
CAS Number  41575-94-4

Drug Properties

Molecular Weight  142.03
ALogP  -2.3682
MLogP  1.68
XLogP  -0.688
HDA  4
HBD  0
Rotatable Bonds  4
TPSA  80.26
RO5 Violation  0