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ACROSORGANICS-ZINC02166885

 MMsINC code: MMs00013030
Type: Neutral
Formula: C10H15N
SMILES:   N(CC)c1cccc(C)c1C
InChI:   InChI=1/C10H15N/c1-4-11-10-7-5-6-8(2)9(10)3/h5-7,11H,4H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.3092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -2.14294  SlogP: 2.73524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0354771  Sterimol/B1: 2.50526  Sterimol/B2: 2.50946  Sterimol/B3: 3.46329
  Sterimol/B4: 5.34024  Sterimol/L: 12.0192 
 
 Surface and Volume Properties
  Accessible surface: 375.184  Positive charged surface: 250.104  Negative charged surface: 125.08  Volume: 175.5
  Hydrophobic surface: 341.04  Hydrophilic surface: 34.144
 
 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.