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NCID-ZINC01623775

 MMsINC code: MMs02271044
Type: Neutral
Formula: C12H22N2P2
SMILES:   P(CCP(N(C)C)N(C)C)c1ccccc1
InChI:   InChI=1/C12H22N2P2/c1-13(2)16(14(3)4)11-10-15-12-8-6-5-7-9-12/h5-9,15H,10-11H2,1-4H3

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Potential Energy
Epot(MMFF94)=69.4311 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.27 g/mol  logS: -0.89387  SlogP: 2.4255  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0934386  Sterimol/B1: 2.52224  Sterimol/B2: 3.51758  Sterimol/B3: 3.6049
  Sterimol/B4: 5.7195  Sterimol/L: 14.9953 
 
 Surface and Volume Properties
  Accessible surface: 502.661  Positive charged surface: 391.227  Negative charged surface: 111.434  Volume: 267.75
  Hydrophobic surface: 474.576  Hydrophilic surface: 28.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: no related molecules available.