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OAKWOOD-ZINC02578476

 MMsINC code: MMs02546828
Type: Neutral
Formula: C14H13ClN2O2
SMILES:   Clc1cc(OCc2ccc(cc2)C(=O)NN)ccc1
InChI:   InChI=1/C14H13ClN2O2/c15-12-2-1-3-13(8-12)19-9-10-4-6-11(7-5-10)14(18)17-16/h1-8H,9,16H2,(H,17,18)

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Potential Energy
Epot(MMFF94)=87.7432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.723 g/mol  logS: -4.1695  SlogP: 2.7889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0568432  Sterimol/B1: 2.13901  Sterimol/B2: 2.31616  Sterimol/B3: 4.71825
  Sterimol/B4: 4.92785  Sterimol/L: 17.1284 
 
 Surface and Volume Properties
  Accessible surface: 517.205  Positive charged surface: 259.852  Negative charged surface: 257.353  Volume: 252.125
  Hydrophobic surface: 376.584  Hydrophilic surface: 140.621
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.