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ACROSORGANICS-ZINC01693404

 MMsINC code: MMs00011200
Type: Tautomer
Formula: C10H24N+
SMILES:   [NH2+](CCCCC)CCCCC
InChI:   InChI=1/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3/p+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-2.51103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.309 g/mol  logS: -2.45193  SlogP: 1.9302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0274952  Sterimol/B1: 2.37604  Sterimol/B2: 2.38917  Sterimol/B3: 2.43532
  Sterimol/B4: 2.91126  Sterimol/L: 17.2327 
 
 Surface and Volume Properties
  Accessible surface: 461.423  Positive charged surface: 397.054  Negative charged surface: 64.3693  Volume: 207.375
  Hydrophobic surface: 387.011  Hydrophilic surface: 74.412
 
 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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Parent related molecule:


MMs00011199
ACROSORGANICS-ZINC01693404