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NANOSIN-ZINC02010759

 MMsINC code: MMs02201209
Type: Neutral
Formula: C13H24N+
SMILES:   [NH3+]CCCC12CC3CC(C1)CC(C2)C3
InChI:   InChI=1/C13H23N/c14-3-1-2-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,1-9,14H2/p+1/t10-,11+,12-,13+

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Potential Energy
Epot(MMFF94)=30.7036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.342 g/mol  logS: -4.63257  SlogP: 2.2249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180982  Sterimol/B1: 2.39619  Sterimol/B2: 3.41596  Sterimol/B3: 4.44897
  Sterimol/B4: 4.90728  Sterimol/L: 12.4577 
 
 Surface and Volume Properties
  Accessible surface: 417.902  Positive charged surface: 376.115  Negative charged surface: 41.7874  Volume: 219.375
  Hydrophobic surface: 336.146  Hydrophilic surface: 81.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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


MMs02201210
NANOSIN-ZINC02010759