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NCID-ZINC01629784

 MMsINC code: MMs02275190
Type: Neutral
Formula: C11H19N2O5P
SMILES:   P(OCC)(OCC)(=O)CCN1C=C(C)C(=O)NC1=O
InChI:   InChI=1/C11H19N2O5P/c1-4-17-19(16,18-5-2)7-6-13-8-9(3)10(14)12-11(13)15/h8H,4-7H2,1-3H3,(H,12,14,15)

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Potential Energy
Epot(MMFF94)=-15.599 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.256 g/mol  logS: -0.99927  SlogP: 0.6379  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946175  Sterimol/B1: 2.48245  Sterimol/B2: 2.48541  Sterimol/B3: 5.12909
  Sterimol/B4: 7.49333  Sterimol/L: 15.1062 
 
 Surface and Volume Properties
  Accessible surface: 539.834  Positive charged surface: 356.839  Negative charged surface: 182.995  Volume: 260.75
  Hydrophobic surface: 343.189  Hydrophilic surface: 196.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.