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NCID-ZINC01623774

 MMsINC code: MMs02271043
Type: Neutral
Formula: C12H22N2P2S
SMILES:   S=P(N(C)C)(N(C)C)CCPc1ccccc1
InChI:   InChI=1/C12H22N2P2S/c1-13(2)16(17,14(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)=44.8825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.336 g/mol  logS: -1.99767  SlogP: 2.4231  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.11102  Sterimol/B1: 2.56605  Sterimol/B2: 2.91319  Sterimol/B3: 5.27737
  Sterimol/B4: 6.08141  Sterimol/L: 15.2689 
 
 Surface and Volume Properties
  Accessible surface: 515.365  Positive charged surface: 366.868  Negative charged surface: 148.497  Volume: 285.125
  Hydrophobic surface: 448.915  Hydrophilic surface: 66.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.