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NCID-ZINC01591860

 MMsINC code: MMs02246399
Type: Neutral
Formula: C12H30N3O6P3
SMILES:   P1(OP(OP(O1)(=O)N(CC)CC)(=O)N(CC)CC)(=O)N(CC)CC
InChI:   InChI=1/C12H30N3O6P3/c1-7-13(8-2)22(16)19-23(17,14(9-3)10-4)21-24(18,20-22)15(11-5)12-6/h7-12H2,1-6H3/t22-,23-,24-

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Potential Energy
Epot(MMFF94)=-139.469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.309 g/mol  logS: -0.65585  SlogP: 1.1889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135826  Sterimol/B1: 2.10172  Sterimol/B2: 2.45035  Sterimol/B3: 5.35393
  Sterimol/B4: 10.6273  Sterimol/L: 14.1999 
 
 Surface and Volume Properties
  Accessible surface: 621.82  Positive charged surface: 424.586  Negative charged surface: 197.234  Volume: 356.375
  Hydrophobic surface: 418.269  Hydrophilic surface: 203.551
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0
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Ions/Tautomers related molecules: no related molecules available.