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ENAMINE-ZINC03122346

 MMsINC code: MMs01290716
Type: Neutral
Formula: C18H29N2O2P
SMILES:   P(Oc1ccccc1)(=O)(NC1CCCCC1)NC1CCCCC1
InChI:   InChI=1/C18H29N2O2P/c21-23(19-16-10-4-1-5-11-16,20-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h3,8-9,14-17H,1-2,4-7,10-13H2,(H2,19,20,21)

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Potential Energy
Epot(MMFF94)=-2.01385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.416 g/mol  logS: -3.39576  SlogP: 3.9479  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12611  Sterimol/B1: 2.71235  Sterimol/B2: 3.61015  Sterimol/B3: 3.66099
  Sterimol/B4: 6.82794  Sterimol/L: 14.7801 
 
 Surface and Volume Properties
  Accessible surface: 555.97  Positive charged surface: 405.611  Negative charged surface: 150.359  Volume: 336.625
  Hydrophobic surface: 501.711  Hydrophilic surface: 54.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.