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CHEMBRIDGE-ZINC02595067

 MMsINC code: MMs00712619
Type: Neutral
Formula: C14H16NO3P
SMILES:   P(Oc1ccc(OC)cc1)(=O)(Nc1ccccc1)C
InChI:   InChI=1/C14H16NO3P/c1-17-13-8-10-14(11-9-13)18-19(2,16)15-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,15,16)/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=68.2181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.26 g/mol  logS: -2.63043  SlogP: 2.9388  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0614877  Sterimol/B1: 2.65688  Sterimol/B2: 3.48029  Sterimol/B3: 3.53736
  Sterimol/B4: 4.81896  Sterimol/L: 16.8366 
 
 Surface and Volume Properties
  Accessible surface: 503.193  Positive charged surface: 311.215  Negative charged surface: 191.978  Volume: 260.75
  Hydrophobic surface: 422.248  Hydrophilic surface: 80.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.