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ASINEX-ZINC00275437

 MMsINC code: MMs00105823
Type: Neutral
Formula: C15H11ClN2O
SMILES:   Clc1ccccc1-c1[nH]nc(c1)-c1ccccc1O
InChI:   InChI=1/C15H11ClN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-9,19H,(H,17,18)

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Potential Energy
Epot(MMFF94)=76.5702 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.719 g/mol  logS: -4.98362  SlogP: 4.1027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0241895  Sterimol/B1: 2.32783  Sterimol/B2: 2.52986  Sterimol/B3: 3.86145
  Sterimol/B4: 5.78127  Sterimol/L: 15.3514 
 
 Surface and Volume Properties
  Accessible surface: 479.102  Positive charged surface: 244.327  Negative charged surface: 234.775  Volume: 247.875
  Hydrophobic surface: 382.691  Hydrophilic surface: 96.411
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.