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NCID-ZINC01586089

 MMsINC code: MMs02242296
Type: Neutral
Formula: C9H19N2O4P
SMILES:   P(O)(O)(=O)C(NC(=O)C1NCCC1)C(C)C
InChI:   InChI=1/C9H19N2O4P/c1-6(2)9(16(13,14)15)11-8(12)7-4-3-5-10-7/h6-7,9-10H,3-5H2,1-2H3,(H,11,12)(H2,13,14,15)/t7-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=26.8306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.235 g/mol  logS: -0.02439  SlogP: -1.0558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0972968  Sterimol/B1: 2.51117  Sterimol/B2: 3.1812  Sterimol/B3: 4.57298
  Sterimol/B4: 5.69638  Sterimol/L: 12.6088 
 
 Surface and Volume Properties
  Accessible surface: 451.968  Positive charged surface: 315.5  Negative charged surface: 136.468  Volume: 224.375
  Hydrophobic surface: 250.422  Hydrophilic surface: 201.546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02242297
NCID-ZINC01586089