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NCID-ZINC01857727

 MMsINC code: MMs02372642
Type: Neutral
Formula: C10H26N4O6P2
SMILES:   P(O)(O)(=O)CN1CCNCCN(CCNCC1)CP(O)(O)=O
InChI:   InChI=1/C10H26N4O6P2/c15-21(16,17)9-13-5-1-11-2-6-14(10-22(18,19)20)8-4-12-3-7-13/h11-12H,1-10H2,(H2,15,16,17)(H2,18,19,20)

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Potential Energy
Epot(MMFF94)=386.659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.288 g/mol  logS: 2.859  SlogP: -4.0868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.60397  Sterimol/B1: 2.51492  Sterimol/B2: 3.72258  Sterimol/B3: 5.44634
  Sterimol/B4: 7.39585  Sterimol/L: 11.2602 
 
 Surface and Volume Properties
  Accessible surface: 498.577  Positive charged surface: 380.015  Negative charged surface: 118.562  Volume: 291
  Hydrophobic surface: 229.372  Hydrophilic surface: 269.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  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.