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AURORAFEINCHEMIE-ZINC02562441

 MMsINC code: MMs00454787
Type: Neutral
Formula: C14H22N2O2
SMILES:   O(Cc1ccccc1)C(=O)NCCCCCCN
InChI:   InChI=1/C14H22N2O2/c15-10-6-1-2-7-11-16-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12,15H2,(H,16,17)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=2.7893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.342 g/mol  logS: -2.10627  SlogP: 2.6983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0321913  Sterimol/B1: 2.10062  Sterimol/B2: 3.61204  Sterimol/B3: 3.68444
  Sterimol/B4: 5.1395  Sterimol/L: 20.1215 
 
 Surface and Volume Properties
  Accessible surface: 566.098  Positive charged surface: 413.917  Negative charged surface: 152.181  Volume: 266.375
  Hydrophobic surface: 427.121  Hydrophilic surface: 138.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00454788
AURORAFEINCHEMIE-ZINC02562441