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PUBCHEM-ZINC03611102

 MMsINC code: MMs03021991
Type: Neutral
Formula: C14H23N
SMILES:   N(C(Cc1ccc(cc1)CCCC)C)C
InChI:   InChI=1/C14H23N/c1-4-5-6-13-7-9-14(10-8-13)11-12(2)15-3/h7-10,12,15H,4-6,11H2,1-3H3/t12-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.4699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.345 g/mol  logS: -3.53364  SlogP: 3.17954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.061482  Sterimol/B1: 3.02452  Sterimol/B2: 3.31864  Sterimol/B3: 3.91139
  Sterimol/B4: 4.88476  Sterimol/L: 15.9294 
 
 Surface and Volume Properties
  Accessible surface: 490.172  Positive charged surface: 361.941  Negative charged surface: 128.231  Volume: 244.125
  Hydrophobic surface: 437.011  Hydrophilic surface: 53.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03021992
PUBCHEM-ZINC03611102