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CHEMBRIDGE-ZINC00454280

 MMsINC code: MMs00620013
Type: Neutral
Formula: C15H13Cl2NO3
SMILES:   Clc1cc(Cl)ccc1OC(C(=O)Nc1ccc(O)cc1)C
InChI:   InChI=1/C15H13Cl2NO3/c1-9(21-14-7-2-10(16)8-13(14)17)15(20)18-11-3-5-12(19)6-4-11/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=85.8375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 326.179 g/mol  logS: -4.86553  SlogP: 4.105  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0502237  Sterimol/B1: 2.1893  Sterimol/B2: 2.72318  Sterimol/B3: 4.85333
  Sterimol/B4: 6.11948  Sterimol/L: 18.0849 
 
 Surface and Volume Properties
  Accessible surface: 545.192  Positive charged surface: 246.188  Negative charged surface: 299.004  Volume: 278.75
  Hydrophobic surface: 436.406  Hydrophilic surface: 108.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.