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ENAMINE-ZINC04821686

 MMsINC code: MMs01553145
Type: Neutral
Formula: C16H15Cl2NO2
SMILES:   Clc1c(OCC(=O)Nc2cccc(C)c2C)cccc1Cl
InChI:   InChI=1/C16H15Cl2NO2/c1-10-5-3-7-13(11(10)2)19-15(20)9-21-14-8-4-6-12(17)16(14)18/h3-8H,9H2,1-2H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=98.5165 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.207 g/mol  logS: -5.53466  SlogP: 4.62774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0148699  Sterimol/B1: 2.64258  Sterimol/B2: 2.9504  Sterimol/B3: 3.29544
  Sterimol/B4: 5.53062  Sterimol/L: 17.5519 
 
 Surface and Volume Properties
  Accessible surface: 551.764  Positive charged surface: 267.067  Negative charged surface: 284.697  Volume: 291.5
  Hydrophobic surface: 512.212  Hydrophilic surface: 39.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.