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ACROSORGANICS-ZINC01566612

 MMsINC code: MMs00009276
Type: Neutral
Formula: C10H15N
SMILES:   N(CCCC)c1ccccc1
InChI:   InChI=1/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.7284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -2.22554  SlogP: 2.8986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235227  Sterimol/B1: 2.37555  Sterimol/B2: 2.37735  Sterimol/B3: 3.74313
  Sterimol/B4: 4.02484  Sterimol/L: 13.686 
 
 Surface and Volume Properties
  Accessible surface: 385.021  Positive charged surface: 263.809  Negative charged surface: 121.212  Volume: 173.125
  Hydrophobic surface: 342.73  Hydrophilic surface: 42.291
 
 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.