Drug Information

Drug ID:  NPD4307
Drug Name:  Tecarfarin Sodium
Molecular Formula:  C21H14F6O5.Na
Canonical SMILES:  O=C(c1ccc(cc1)Cc1c(=O)oc2c(c1[O-])cccc2)OC(C(F)(F)F)(C(F)(F)F)C.[Na+]
Standard InCHI:  InChI=1S/C21H14F6O5.Na/c1-19(20(22,23)24,21(25,26)27)32-17(29)12-8-6-11(7-9-12)10-14-16(28)13-4-2-3-5-15(13)31-18(14)30;/h2-9,28H,10H2,1H3;/q;+1/p-1
Standard InCHIKey:  DTAROZQXDYVCQR-UHFFFAOYSA-M
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4307

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

Drug Structure

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External Identifiers

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

Drug Properties

Molecular Weight  459.07
ALogP  1.6561
MLogP  2.56
XLogP  8.073
HDA  4
HBD  0
Rotatable Bonds  15
TPSA  75.66
RO5 Violation  1