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ASINEX-ZINC00029973

 MMsINC code: MMs00060048
Type: Neutral
Formula: C15H23NO2
SMILES:   O(CC)c1ccc(cc1)C(=O)N(CCC)CCC
InChI:   InChI=1/C15H23NO2/c1-4-11-16(12-5-2)15(17)13-7-9-14(10-8-13)18-6-3/h7-10H,4-6,11-12H2,1-3H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=64.8429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.354 g/mol  logS: -2.86057  SlogP: 3.3475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0421453  Sterimol/B1: 2.70965  Sterimol/B2: 3.23569  Sterimol/B3: 3.93037
  Sterimol/B4: 6.38313  Sterimol/L: 16.2184 
 
 Surface and Volume Properties
  Accessible surface: 521.474  Positive charged surface: 360.701  Negative charged surface: 160.773  Volume: 271.875
  Hydrophobic surface: 416.915  Hydrophilic surface: 104.559
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.