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NCID-ZINC01666788

 MMsINC code: MMs02302912
Type: Neutral
Formula: C10H15N
SMILES:   N(C)(C)c1ccccc1CC
InChI:   InChI=1/C10H15N/c1-4-9-7-5-6-8-10(9)11(2)3/h5-8H,4H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=76.9215 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -1.98798  SlogP: 2.31497  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268134  Sterimol/B1: 2.52766  Sterimol/B2: 2.79245  Sterimol/B3: 4.17047
  Sterimol/B4: 7.46365  Sterimol/L: 9.22261 
 
 Surface and Volume Properties
  Accessible surface: 359.146  Positive charged surface: 266.118  Negative charged surface: 93.028  Volume: 177
  Hydrophobic surface: 336.923  Hydrophilic surface: 22.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.