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ENAMINE-ZINC03596530

 MMsINC code: MMs01520081
Type: Neutral
Formula: C16H15Cl2NO3
SMILES:   Clc1ccc(Cl)cc1OCC(=O)Nc1ccc(OCC)cc1
InChI:   InChI=1/C16H15Cl2NO3/c1-2-21-13-6-4-12(5-7-13)19-16(20)10-22-15-9-11(17)3-8-14(15)18/h3-9H,2,10H2,1H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=87.2614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.206 g/mol  logS: -5.27786  SlogP: 4.4096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0118778  Sterimol/B1: 2.67158  Sterimol/B2: 2.93326  Sterimol/B3: 4.64427
  Sterimol/B4: 5.14119  Sterimol/L: 19.7688 
 
 Surface and Volume Properties
  Accessible surface: 591.036  Positive charged surface: 300.616  Negative charged surface: 290.42  Volume: 299.875
  Hydrophobic surface: 510.413  Hydrophilic surface: 80.623
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.