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NCID-ZINC01872350

 MMsINC code: MMs02376795
Type: Neutral
Formula: C10H17N2P
SMILES:   P(N(C)C)(N(C)C)c1ccccc1
InChI:   InChI=1/C10H17N2P/c1-11(2)13(12(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.3191 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.234 g/mol  logS: -0.62134  SlogP: 1.747  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.273632  Sterimol/B1: 2.20195  Sterimol/B2: 3.23573  Sterimol/B3: 4.2306
  Sterimol/B4: 7.42509  Sterimol/L: 11.1524 
 
 Surface and Volume Properties
  Accessible surface: 402.714  Positive charged surface: 337.779  Negative charged surface: 64.9342  Volume: 210.5
  Hydrophobic surface: 391.205  Hydrophilic surface: 11.509
 
 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.