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NCID-ZINC05479622

 MMsINC code: MMs02465275
Type: Neutral
Formula: C9H14N2
SMILES:   N(C)(C)c1ccc(N)cc1C
InChI:   InChI=1/C9H14N2/c1-7-6-8(10)4-5-9(7)11(2)3/h4-6H,10H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=83.4561 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.225 g/mol  logS: -1.19364  SlogP: 1.64322  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149222  Sterimol/B1: 2.16691  Sterimol/B2: 3.54699  Sterimol/B3: 3.60038
  Sterimol/B4: 6.43568  Sterimol/L: 10.6398 
 
 Surface and Volume Properties
  Accessible surface: 359.793  Positive charged surface: 281.879  Negative charged surface: 77.9136  Volume: 168.625
  Hydrophobic surface: 298.395  Hydrophilic surface: 61.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.