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NCID-ZINC05004817

 MMsINC code: MMs02427064
Type: Neutral
Formula: C16H30N2O10P2
SMILES:   P1(OCC(CO1)(C(OC)=O)C)(=O)NCCCCNP1(OCC(CO1)(C(OC)=O)C)=O
InChI:   InChI=1/C16H30N2O10P2/c1-15(13(19)23-3)9-25-29(21,26-10-15)17-7-5-6-8-18-30(22)27-11-16(2,12-28-30)14(20)24-4/h5-12H2,1-4H3,(H,17,21)(H,18,22)/t15-,16-,29-,30-

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Potential Energy
Epot(MMFF94)=-29.0904 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 472.368 g/mol  logS: -0.46086  SlogP: -0.5262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157756  Sterimol/B1: 2.37154  Sterimol/B2: 4.38572  Sterimol/B3: 5.96335
  Sterimol/B4: 7.1012  Sterimol/L: 16.0111 
 
 Surface and Volume Properties
  Accessible surface: 685.411  Positive charged surface: 507.447  Negative charged surface: 177.964  Volume: 398.125
  Hydrophobic surface: 462.496  Hydrophilic surface: 222.915
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 8  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.