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PUBCHEM-ZINC02563414

 MMsINC code: MMs02901639
Type: Neutral
Formula: C10H15N
SMILES:   N(Cc1ccc(cc1)C)CC
InChI:   InChI=1/C10H15N/c1-3-11-8-10-6-4-9(2)5-7-10/h4-7,11H,3,8H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.3334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 149.237 g/mol  logS: -1.92651  SlogP: 2.37092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0785706  Sterimol/B1: 2.11839  Sterimol/B2: 3.61039  Sterimol/B3: 3.66835
  Sterimol/B4: 4.20673  Sterimol/L: 13.3473 
 
 Surface and Volume Properties
  Accessible surface: 391.818  Positive charged surface: 268.441  Negative charged surface: 123.377  Volume: 175.5
  Hydrophobic surface: 346.715  Hydrophilic surface: 45.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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


MMs02901640
PUBCHEM-ZINC02563414