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PUBCHEM-ZINC06521247

 MMsINC code: MMs03779650
Type: Neutral
Formula: C16H23N2O6P
SMILES:   [PH](OC1CCCCC1)(OCC1OC(N2C=C(C)C(=O)NC2=O)C=C1)=O
InChI:   InChI=1/C16H23N2O6P/c1-11-9-18(16(20)17-15(11)19)14-8-7-13(23-14)10-22-25(21)24-12-5-3-2-4-6-12/h7-9,12-14,25H,2-6,10H2,1H3,(H,17,19,20)/t13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=24.03 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.342 g/mol  logS: -3.10535  SlogP: 1.4085  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0567023  Sterimol/B1: 2.45153  Sterimol/B2: 2.73986  Sterimol/B3: 4.69057
  Sterimol/B4: 7.84393  Sterimol/L: 16.1914 
 
 Surface and Volume Properties
  Accessible surface: 599.433  Positive charged surface: 384.598  Negative charged surface: 214.835  Volume: 328.25
  Hydrophobic surface: 437.372  Hydrophilic surface: 162.061
 
 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.