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ALFAAESAR-ZINC02041138

 MMsINC code: MMs00022518
Type: Neutral
Formula: C10H15N
SMILES:   Nc1ccc(cc1)CCCC
InChI:   InChI=1/C10H15N/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4,11H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.7229 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -3.12534  SlogP: 2.61137  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0775826  Sterimol/B1: 2.08553  Sterimol/B2: 3.62198  Sterimol/B3: 3.62528
  Sterimol/B4: 4.07709  Sterimol/L: 13.1776 
 
 Surface and Volume Properties
  Accessible surface: 385.377  Positive charged surface: 265.999  Negative charged surface: 119.378  Volume: 173.875
  Hydrophobic surface: 300.24  Hydrophilic surface: 85.137
 
 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.