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ENAMINE-ZINC06651152

 MMsINC code: MMs01691991
Type: Neutral
Formula: C14H25N
SMILES:   N(CCC=1CCCCC=1)C1CCCCC1
InChI:   InChI=1/C14H25N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h7,14-15H,1-6,8-12H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.9584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.361 g/mol  logS: -2.79597  SlogP: 3.7992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763551  Sterimol/B1: 3.09971  Sterimol/B2: 3.40832  Sterimol/B3: 3.98393
  Sterimol/B4: 4.27409  Sterimol/L: 14.8861 
 
 Surface and Volume Properties
  Accessible surface: 481.164  Positive charged surface: 386.739  Negative charged surface: 94.4251  Volume: 242.875
  Hydrophobic surface: 454.433  Hydrophilic surface: 26.731
 
 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


MMs01691992
ENAMINE-ZINC06651152