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CHEMBRIDGE-ZINC02904486

 MMsINC code: MMs00739971
Type: Neutral
Formula: C10H21N2O4P
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)

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Potential Energy
Epot(MMFF94)=83.6486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.262 g/mol  logS: 0.98684  SlogP: -0.6978  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0692194  Sterimol/B1: 2.13951  Sterimol/B2: 3.2271  Sterimol/B3: 3.4233
  Sterimol/B4: 5.86569  Sterimol/L: 14.0941 
 
 Surface and Volume Properties
  Accessible surface: 481.32  Positive charged surface: 365.965  Negative charged surface: 115.355  Volume: 248.125
  Hydrophobic surface: 360.648  Hydrophilic surface: 120.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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


MMs00739972
CHEMBRIDGE-ZINC02904486