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DSC-ZINC00404189

 MMsINC code: MMs01221656
Type: Neutral
Formula: C14H25N2P
SMILES:   P(N(CC)CC)(N(CC)CC)c1ccccc1
InChI:   InChI=1/C14H25N2P/c1-5-15(6-2)17(16(7-3)8-4)14-12-10-9-11-13-14/h9-13H,5-8H2,1-4H3

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Potential Energy
Epot(MMFF94)=86.4509 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.342 g/mol  logS: -1.93018  SlogP: 3.3074  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.311236  Sterimol/B1: 2.43144  Sterimol/B2: 5.27091  Sterimol/B3: 5.86475
  Sterimol/B4: 6.08681  Sterimol/L: 12.3121 
 
 Surface and Volume Properties
  Accessible surface: 472.168  Positive charged surface: 338.517  Negative charged surface: 133.651  Volume: 277.375
  Hydrophobic surface: 391.922  Hydrophilic surface: 80.246
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.