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ASINEX-ZINC00323454

 MMsINC code: MMs00118646
Type: Neutral
Formula: C19H25NO2
SMILES:   O(CC(=O)NC1C2CC3CC1CC(C2)C3)c1ccc(cc1)C
InChI:   InChI=1/C19H25NO2/c1-12-2-4-17(5-3-12)22-11-18(21)20-19-15-7-13-6-14(9-15)10-16(19)8-13/h2-5,13-16,19H,6-11H2,1H3,(H,20,21)/t13-,14+,15-,16+,19-

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=69.441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 299.414 g/mol  logS: -4.78279  SlogP: 3.31472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051004  Sterimol/B1: 3.15313  Sterimol/B2: 3.8549  Sterimol/B3: 4.03114
  Sterimol/B4: 4.78916  Sterimol/L: 17.5211 
 
 Surface and Volume Properties
  Accessible surface: 561.473  Positive charged surface: 394.58  Negative charged surface: 166.893  Volume: 306.375
  Hydrophobic surface: 515.905  Hydrophilic surface: 45.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.