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PUBCHEM-ZINC02981088

 MMsINC code: MMs02973303
Type: Neutral
Formula: C15H26N2O2
SMILES:   O(CCOCCNCCN)c1c(cc(cc1C)C)C
InChI:   InChI=1/C15H26N2O2/c1-12-10-13(2)15(14(3)11-12)19-9-8-18-7-6-17-5-4-16/h10-11,17H,4-9,16H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.2458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -1.83106  SlogP: 1.55556  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362623  Sterimol/B1: 2.39151  Sterimol/B2: 3.16318  Sterimol/B3: 3.17023
  Sterimol/B4: 6.96022  Sterimol/L: 16.744 
 
 Surface and Volume Properties
  Accessible surface: 575.323  Positive charged surface: 453.014  Negative charged surface: 122.31  Volume: 294.125
  Hydrophobic surface: 495.599  Hydrophilic surface: 79.724
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs02973304
PUBCHEM-ZINC02981088