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ASINEX-ZINC04124598

 MMsINC code: MMs00305731
Type: Neutral
Formula: C15H14ClN3O3
SMILES:   Clc1cc(NC(=O)C(=O)NCc2ncccc2)ccc1OC
InChI:   InChI=1/C15H14ClN3O3/c1-22-13-6-5-10(8-12(13)16)19-15(21)14(20)18-9-11-4-2-3-7-17-11/h2-8H,9H2,1H3,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=88.247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.748 g/mol  logS: -3.20689  SlogP: 2.2649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0327494  Sterimol/B1: 3.24204  Sterimol/B2: 3.68147  Sterimol/B3: 4.56815
  Sterimol/B4: 4.75525  Sterimol/L: 18.658 
 
 Surface and Volume Properties
  Accessible surface: 566.016  Positive charged surface: 342.92  Negative charged surface: 223.096  Volume: 284.5
  Hydrophobic surface: 445.644  Hydrophilic surface: 120.372
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.