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ENAMINE-ZINC03356980

 MMsINC code: MMs01393340
Type: Neutral
Formula: C11H10ClNO
SMILES:   Clc1ccc(cc1)-c1oc(cc1)CN
InChI:   InChI=1/C11H10ClNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2

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Potential Energy
Epot(MMFF94)=32.3198 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.66 g/mol  logS: -3.93084  SlogP: 3.3251  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0256221  Sterimol/B1: 2.36375  Sterimol/B2: 2.81204  Sterimol/B3: 3.06435
  Sterimol/B4: 5.31388  Sterimol/L: 14.1616 
 
 Surface and Volume Properties
  Accessible surface: 418.639  Positive charged surface: 220.912  Negative charged surface: 197.727  Volume: 194.75
  Hydrophobic surface: 337.658  Hydrophilic surface: 80.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs01393341
ENAMINE-ZINC03356980