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ASINEX-ZINC00815162

 MMsINC code: MMs00178204
Type: Neutral
Formula: C15H11ClN2O3
SMILES:   Clc1ccccc1-c1onc(c1)C(=O)NCc1occc1
InChI:   InChI=1/C15H11ClN2O3/c16-12-6-2-1-5-11(12)14-8-13(18-21-14)15(19)17-9-10-4-3-7-20-10/h1-8H,9H2,(H,17,19)

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Potential Energy
Epot(MMFF94)=58.3105 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.717 g/mol  logS: -4.97922  SlogP: 3.7844  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301352  Sterimol/B1: 2.92038  Sterimol/B2: 3.07466  Sterimol/B3: 3.72076
  Sterimol/B4: 5.68753  Sterimol/L: 17.6288 
 
 Surface and Volume Properties
  Accessible surface: 535.685  Positive charged surface: 245.976  Negative charged surface: 289.709  Volume: 265.75
  Hydrophobic surface: 435.042  Hydrophilic surface: 100.643
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.