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PUBCHEM-ZINC02029199

 MMsINC code: MMs02858437
Type: Neutral
Formula: C15H24N2
SMILES:   NCCCCCCN1CCc2c(C1)cccc2
InChI:   InChI=1/C15H24N2/c16-10-5-1-2-6-11-17-12-9-14-7-3-4-8-15(14)13-17/h3-4,7-8H,1-2,5-6,9-13,16H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.7056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.371 g/mol  logS: -1.93864  SlogP: 2.83017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0319263  Sterimol/B1: 2.64264  Sterimol/B2: 3.45636  Sterimol/B3: 3.56787
  Sterimol/B4: 5.7951  Sterimol/L: 17.5174 
 
 Surface and Volume Properties
  Accessible surface: 527.821  Positive charged surface: 409.493  Negative charged surface: 118.328  Volume: 261.5
  Hydrophobic surface: 455.537  Hydrophilic surface: 72.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02858438
PUBCHEM-ZINC02029199