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PUBCHEM-ZINC06521248

 MMsINC code: MMs03779651
Type: Neutral
Formula: C15H23N2O6P
SMILES:   [PH](OCC1OC(N2C=C(C)C(=O)NC2=O)C=C1)(OCC(C)(C)C)=O
InChI:   InChI=1/C15H23N2O6P/c1-10-7-17(14(19)16-13(10)18)12-6-5-11(23-12)8-21-24(20)22-9-15(2,3)4/h5-7,11-12,24H,8-9H2,1-4H3,(H,16,18,19)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=33.0781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.331 g/mol  logS: -2.56673  SlogP: 1.1219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0814577  Sterimol/B1: 2.86463  Sterimol/B2: 3.16651  Sterimol/B3: 4.5631
  Sterimol/B4: 7.66025  Sterimol/L: 15.6459 
 
 Surface and Volume Properties
  Accessible surface: 588.058  Positive charged surface: 367.14  Negative charged surface: 220.918  Volume: 320.875
  Hydrophobic surface: 378.728  Hydrophilic surface: 209.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.