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PUBCHEM-ZINC05650420

 MMsINC code: MMs03336675
Type: Neutral
Formula: C14H25N
SMILES:   N(CCC12CC3CC(C1)CC(C2)C3)CC
InChI:   InChI=1/C14H25N/c1-2-15-4-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3/t11-,12+,13-,14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.361 g/mol  logS: -4.54453  SlogP: 3.2024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138663  Sterimol/B1: 3.64302  Sterimol/B2: 3.84282  Sterimol/B3: 3.87943
  Sterimol/B4: 4.07096  Sterimol/L: 13.5666 
 
 Surface and Volume Properties
  Accessible surface: 438.943  Positive charged surface: 365.611  Negative charged surface: 73.3312  Volume: 233.5
  Hydrophobic surface: 396.92  Hydrophilic surface: 42.023
 
 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


MMs03336676
PUBCHEM-ZINC05650420