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APOLLO-ZINC00159380

 MMsINC code: MMs00045397
Type: Neutral
Formula: C14H11ClN2O
SMILES:   Clc1n(nc2c1cccc2)-c1ccc(OC)cc1
InChI:   InChI=1/C14H11ClN2O/c1-18-11-8-6-10(7-9-11)17-14(15)12-4-2-3-5-13(12)16-17/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=96.2598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.708 g/mol  logS: -4.4814  SlogP: 3.6875  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0165792  Sterimol/B1: 2.51298  Sterimol/B2: 3.06059  Sterimol/B3: 4.02561
  Sterimol/B4: 4.5118  Sterimol/L: 15.7831 
 
 Surface and Volume Properties
  Accessible surface: 473.124  Positive charged surface: 243.824  Negative charged surface: 223.926  Volume: 236.625
  Hydrophobic surface: 438.9  Hydrophilic surface: 34.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.