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NCID-ZINC05369545

 MMsINC code: MMs02455582
Type: Neutral
Formula: C10H19N
SMILES:   N1C2C(CC(CC2)C)CCC1
InChI:   InChI=1/C10H19N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h8-11H,2-7H2,1H3/t8-,9-,10-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.00293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.269 g/mol  logS: -1.77078  SlogP: 2.1746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1167  Sterimol/B1: 2.70681  Sterimol/B2: 3.05897  Sterimol/B3: 3.2551
  Sterimol/B4: 4.96327  Sterimol/L: 11.1539 
 
 Surface and Volume Properties
  Accessible surface: 362.256  Positive charged surface: 306.825  Negative charged surface: 55.4316  Volume: 177.375
  Hydrophobic surface: 316.926  Hydrophilic surface: 45.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs02455583
NCID-ZINC05369545