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ACROSORGANICS-ZINC01693404

 MMsINC code: MMs00011199
Type: Neutral
Formula: C10H23N
SMILES:   N(CCCCC)CCCCC
InChI:   InChI=1/C10H23N/c1-3-5-7-9-11-10-8-6-4-2/h11H,3-10H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.55137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.47632  SlogP: 2.9564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0269927  Sterimol/B1: 2.25845  Sterimol/B2: 2.43399  Sterimol/B3: 2.50652
  Sterimol/B4: 3.05566  Sterimol/L: 17.1476 
 
 Surface and Volume Properties
  Accessible surface: 452.313  Positive charged surface: 371.306  Negative charged surface: 81.0066  Volume: 205.125
  Hydrophobic surface: 386.077  Hydrophilic surface: 66.236
 
 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


MMs00011200
ACROSORGANICS-ZINC01693404