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PUBCHEM-ZINC02048732

 MMsINC code: MMs02865898
Type: Neutral
Formula: C10H23N
SMILES:   N(C(C)C)CC(CCC)CC
InChI:   InChI=1/C10H23N/c1-5-7-10(6-2)8-11-9(3)4/h9-11H,5-8H2,1-4H3/t10-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.56444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.301 g/mol  logS: -2.28831  SlogP: 2.8107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0846289  Sterimol/B1: 2.49055  Sterimol/B2: 2.78308  Sterimol/B3: 3.20749
  Sterimol/B4: 7.41211  Sterimol/L: 12.2826 
 
 Surface and Volume Properties
  Accessible surface: 428.26  Positive charged surface: 324.131  Negative charged surface: 104.13  Volume: 202
  Hydrophobic surface: 332.801  Hydrophilic surface: 95.459
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs02865899
PUBCHEM-ZINC02048732