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CHEMDIV-ZINC06859876

 MMsINC code: MMs01048194
Type: Neutral
Formula: C15H12ClN3O2
SMILES:   Clc1ccccc1NC(=O)NCc1noc2c1cccc2
InChI:   InChI=1/C15H12ClN3O2/c16-11-6-2-3-7-12(11)18-15(20)17-9-13-10-5-1-4-8-14(10)21-19-13/h1-8H,9H2,(H2,17,18,20)

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Potential Energy
Epot(MMFF94)=45.0204 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.733 g/mol  logS: -4.57633  SlogP: 4.0693  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561078  Sterimol/B1: 2.45101  Sterimol/B2: 2.78902  Sterimol/B3: 4.81682
  Sterimol/B4: 6.06205  Sterimol/L: 16.7735 
 
 Surface and Volume Properties
  Accessible surface: 530.593  Positive charged surface: 256.616  Negative charged surface: 269.508  Volume: 266.125
  Hydrophobic surface: 442.46  Hydrophilic surface: 88.133
 
 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.