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NCID-ZINC01586090

 MMsINC code: MMs02242299
Type: Ionized
Formula: C9H20N2O4P+
SMILES:   P(O)(O)(=O)C(NC(=O)C1[NH2+]CCC1)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)/p+1/t7-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=-10.1312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.243 g/mol  logS: 4.16334e-17  SlogP: -2.082  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126019  Sterimol/B1: 2.17559  Sterimol/B2: 3.00586  Sterimol/B3: 3.79801
  Sterimol/B4: 6.93275  Sterimol/L: 11.9711 
 
 Surface and Volume Properties
  Accessible surface: 455.637  Positive charged surface: 324.497  Negative charged surface: 131.139  Volume: 230.5
  Hydrophobic surface: 240.824  Hydrophilic surface: 214.813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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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MMs02242298
NCID-ZINC01586090