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ASINEX-ZINC00458383

 MMsINC code: MMs00135584
Type: Neutral
Formula: C13H11ClN2O3
SMILES:   Clc1cc(NC(=O)C)ccc1NC(=O)c1occc1
InChI:   InChI=1/C13H11ClN2O3/c1-8(17)15-9-4-5-11(10(14)7-9)16-13(18)12-3-2-6-19-12/h2-7H,1H3,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=64.7497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.695 g/mol  logS: -4.05018  SlogP: 3.1437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01041  Sterimol/B1: 2.52156  Sterimol/B2: 2.68704  Sterimol/B3: 3.91955
  Sterimol/B4: 4.78539  Sterimol/L: 16.9028 
 
 Surface and Volume Properties
  Accessible surface: 486.868  Positive charged surface: 235.863  Negative charged surface: 251.006  Volume: 241.5
  Hydrophobic surface: 389.164  Hydrophilic surface: 97.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.