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CHEMBRIDGE-ZINC00439404

 MMsINC code: MMs00615584
Type: Neutral
Formula: C10H19N2O4P
SMILES:   P(O)(=O)(CN1CCCC1=O)CN(C(=O)C)CC
InChI:   InChI=1/C10H19N2O4P/c1-3-11(9(2)13)7-17(15,16)8-12-6-4-5-10(12)14/h3-8H2,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=43.602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.246 g/mol  logS: 0.8771  SlogP: -0.4076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855903  Sterimol/B1: 2.59593  Sterimol/B2: 3.42389  Sterimol/B3: 3.53772
  Sterimol/B4: 5.75145  Sterimol/L: 13.6409 
 
 Surface and Volume Properties
  Accessible surface: 469.567  Positive charged surface: 319.932  Negative charged surface: 149.635  Volume: 242.5
  Hydrophobic surface: 337.312  Hydrophilic surface: 132.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00615585
CHEMBRIDGE-ZINC00439404