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CHEMBRIDGE-ZINC02904486

 MMsINC code: MMs00739972
Type: Ionized
Formula: C10H20N2O4P-
SMILES:   P(=O)([O-])(CN1CCOCC1)CN(C(=O)C)CC
InChI:   InChI=1/C10H21N2O4P/c1-3-12(10(2)13)9-17(14,15)8-11-4-6-16-7-5-11/h3-9H2,1-2H3,(H,14,15)/p-1

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Potential Energy
Epot(MMFF94)=72.9601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 263.254 g/mol  logS: 0.91532  SlogP: -1.3298  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103636  Sterimol/B1: 2.47151  Sterimol/B2: 2.79103  Sterimol/B3: 4.82564
  Sterimol/B4: 6.24421  Sterimol/L: 14.3193 
 
 Surface and Volume Properties
  Accessible surface: 484.557  Positive charged surface: 346.367  Negative charged surface: 138.19  Volume: 243.875
  Hydrophobic surface: 359.024  Hydrophilic surface: 125.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 2  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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Parent related molecule:


MMs00739971
CHEMBRIDGE-ZINC02904486