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NCID-ZINC01701031

 MMsINC code: MMs02330612
Type: Neutral
Formula: C14H21N2O2P
SMILES:   P(Oc1ccccc1)(=O)(N1CC1(C)C)N1CC1(C)C
InChI:   InChI=1/C14H21N2O2P/c1-13(2)10-15(13)19(17,16-11-14(16,3)4)18-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3/t15-,16-/m1/s1

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Potential Energy
Epot(MMFF94)=126.364 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.308 g/mol  logS: -2.21116  SlogP: 2.2917  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.181635  Sterimol/B1: 3.72551  Sterimol/B2: 3.95854  Sterimol/B3: 4.68955
  Sterimol/B4: 4.9899  Sterimol/L: 13.0446 
 
 Surface and Volume Properties
  Accessible surface: 475.076  Positive charged surface: 291.869  Negative charged surface: 183.207  Volume: 273.5
  Hydrophobic surface: 460.902  Hydrophilic surface: 14.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.