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PUBCHEM-ZINC05972948

 MMsINC code: MMs03468465
Type: Neutral
Formula: C14H29N
SMILES:   N1CCC(CC1)C(CCCC)CCCC
InChI:   InChI=1/C14H29N/c1-3-5-7-13(8-6-4-2)14-9-11-15-12-10-14/h13-15H,3-12H2,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.393 g/mol  logS: -4.74861  SlogP: 3.9826  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0969686  Sterimol/B1: 2.96906  Sterimol/B2: 3.41083  Sterimol/B3: 6.17946
  Sterimol/B4: 6.29335  Sterimol/L: 13.2118 
 
 Surface and Volume Properties
  Accessible surface: 495.207  Positive charged surface: 412.793  Negative charged surface: 82.4143  Volume: 256.25
  Hydrophobic surface: 421.016  Hydrophilic surface: 74.191
 
 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


MMs03468466
PUBCHEM-ZINC05972948