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CHEMDIV-ZINC06820550

 MMsINC code: MMs01043717
Type: Neutral
Formula: C19H17ClN2O3
SMILES:   Clc1cc2c([nH]c(C(O)=O)c2CC(=O)NCc2ccc(cc2)C)cc1
InChI:   InChI=1/C19H17ClN2O3/c1-11-2-4-12(5-3-11)10-21-17(23)9-15-14-8-13(20)6-7-16(14)22-18(15)19(24)25/h2-8,22H,9-10H2,1H3,(H,21,23)(H,24,25)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.1455 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.809 g/mol  logS: -4.98081  SlogP: 3.95319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0302739  Sterimol/B1: 2.55638  Sterimol/B2: 3.88579  Sterimol/B3: 6.16002
  Sterimol/B4: 6.62839  Sterimol/L: 17.7905 
 
 Surface and Volume Properties
  Accessible surface: 622.416  Positive charged surface: 331.863  Negative charged surface: 287.229  Volume: 325.625
  Hydrophobic surface: 468.036  Hydrophilic surface: 154.38
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01043718
CHEMDIV-ZINC06820550