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ENAMINE-ZINC03887663

 MMsINC code: MMs01528828
Type: Neutral
Formula: C14H14ClNO2
SMILES:   Clc1cc(N)c(Oc2ccc(OCC)cc2)cc1
InChI:   InChI=1/C14H14ClNO2/c1-2-17-11-4-6-12(7-5-11)18-14-8-3-10(15)9-13(14)16/h3-9H,2,16H2,1H3

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Potential Energy
Epot(MMFF94)=74.501 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.724 g/mol  logS: -4.00035  SlogP: 4.1132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554016  Sterimol/B1: 2.92122  Sterimol/B2: 3.96731  Sterimol/B3: 4.38722
  Sterimol/B4: 4.48995  Sterimol/L: 15.8124 
 
 Surface and Volume Properties
  Accessible surface: 496.898  Positive charged surface: 288.284  Negative charged surface: 208.614  Volume: 246.375
  Hydrophobic surface: 407.809  Hydrophilic surface: 89.089
 
 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: no related molecules available.