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NCID-ZINC01682108

 MMsINC code: MMs02315949
Type: Neutral
Formula: C5H13N2O2P
SMILES:   P1(OCCCN1)(=O)N(C)C
InChI:   InChI=1/C5H13N2O2P/c1-7(2)10(8)6-4-3-5-9-10/h3-5H2,1-2H3,(H,6,8)/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-46.7738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.145 g/mol  logS: 0.82241  SlogP: -0.4042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105235  Sterimol/B1: 2.42582  Sterimol/B2: 2.97813  Sterimol/B3: 3.64872
  Sterimol/B4: 4.80994  Sterimol/L: 10.1516 
 
 Surface and Volume Properties
  Accessible surface: 338.91  Positive charged surface: 287.18  Negative charged surface: 51.7303  Volume: 151.125
  Hydrophobic surface: 280.22  Hydrophilic surface: 58.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.