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PUBCHEM-ZINC05422603

 MMsINC code: MMs03264833
Type: Neutral
Formula: C15H24N2O2
SMILES:   O(CC(O)CN1CCN(CC1)c1ccccc1)CC
InChI:   InChI=1/C15H24N2O2/c1-2-19-13-15(18)12-16-8-10-17(11-9-16)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=136.578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.369 g/mol  logS: -1.62633  SlogP: 1.206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0332206  Sterimol/B1: 3.08623  Sterimol/B2: 3.12971  Sterimol/B3: 3.70617
  Sterimol/B4: 5.39661  Sterimol/L: 18.6229 
 
 Surface and Volume Properties
  Accessible surface: 549.513  Positive charged surface: 413.839  Negative charged surface: 135.674  Volume: 276.625
  Hydrophobic surface: 463.104  Hydrophilic surface: 86.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03264834
PUBCHEM-ZINC05422603