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CHEMBRIDGE-ZINC05008583

 MMsINC code: MMs00825374
Type: Neutral
Formula: C15H35NO6P2
SMILES:   P(OCC)(OCC)(=O)C(CN(CC)CC)CP(OCC)(OCC)=O
InChI:   InChI=1/C15H35NO6P2/c1-7-16(8-2)13-15(24(18,21-11-5)22-12-6)14-23(17,19-9-3)20-10-4/h15H,7-14H2,1-6H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=23.7546 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.394 g/mol  logS: -1.49337  SlogP: 2.0886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0857043  Sterimol/B1: 2.53067  Sterimol/B2: 2.78182  Sterimol/B3: 5.17224
  Sterimol/B4: 10.2229  Sterimol/L: 16.1778 
 
 Surface and Volume Properties
  Accessible surface: 657.435  Positive charged surface: 476.509  Negative charged surface: 180.926  Volume: 378.375
  Hydrophobic surface: 478.202  Hydrophilic surface: 179.233
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00825375
CHEMBRIDGE-ZINC05008583