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PUBCHEM-ZINC06292847

 MMsINC code: MMs03660309
Type: Neutral
Formula: C18H12Cl2N2O3
SMILES:   Clc1cc(Cl)cc2C=C(/C(=N/NC(=O)c3ccccc3)/C)C(Oc12)=O
InChI:   InChI=1/C18H12Cl2N2O3/c1-10(21-22-17(23)11-5-3-2-4-6-11)14-8-12-7-13(19)9-15(20)16(12)25-18(14)24/h2-9H,1H3,(H,22,23)/b21-10-

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Potential Energy
Epot(MMFF94)=111.378 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.211 g/mol  logS: -6.73504  SlogP: 4.1017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109546  Sterimol/B1: 2.24025  Sterimol/B2: 4.53436  Sterimol/B3: 4.81152
  Sterimol/B4: 9.30208  Sterimol/L: 14.7904 
 
 Surface and Volume Properties
  Accessible surface: 597.644  Positive charged surface: 241.895  Negative charged surface: 355.749  Volume: 318
  Hydrophobic surface: 499.003  Hydrophilic surface: 98.641
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.