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ENAMINE-ZINC00028270

 MMsINC code: MMs01221950
Type: Neutral
Formula: C12H25N2O2P
SMILES:   P(O)(=O)(NC1CCCCC1)NC1CCCCC1
InChI:   InChI=1/C12H25N2O2P/c15-17(16,13-11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h11-12H,1-10H2,(H3,13,14,15,16)

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Potential Energy
Epot(MMFF94)=-68.6213 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.318 g/mol  logS: -1.3485  SlogP: 1.8612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510009  Sterimol/B1: 3.03332  Sterimol/B2: 3.1834  Sterimol/B3: 3.54543
  Sterimol/B4: 4.19134  Sterimol/L: 15.6684 
 
 Surface and Volume Properties
  Accessible surface: 495.701  Positive charged surface: 379.757  Negative charged surface: 115.944  Volume: 257.375
  Hydrophobic surface: 405.016  Hydrophilic surface: 90.685
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.