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PUBCHEM-ZINC05325977

 MMsINC code: MMs03240305
Type: Neutral
Formula: C16H23NO2
SMILES:   O(C(=O)C(N1CCCCC1)Cc1ccccc1)CC
InChI:   InChI=1/C16H23NO2/c1-2-19-16(18)15(17-11-7-4-8-12-17)13-14-9-5-3-6-10-14/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3/t15-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.371 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.365 g/mol  logS: -2.80733  SlogP: 2.64667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141833  Sterimol/B1: 3.52253  Sterimol/B2: 3.67395  Sterimol/B3: 4.18345
  Sterimol/B4: 7.52225  Sterimol/L: 14.1457 
 
 Surface and Volume Properties
  Accessible surface: 520.114  Positive charged surface: 369.796  Negative charged surface: 150.318  Volume: 275.875
  Hydrophobic surface: 479.01  Hydrophilic surface: 41.104
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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


MMs03240306
PUBCHEM-ZINC05325977