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IBS-ZINC05348470

 MMsINC code: MMs01943069
Type: Neutral
Formula: C23H25NO2
SMILES:   O1c2c(OC1)cc-1c(CCn3cc(cc-13)C13CC4CC(C1)CC(C3)C4)c2
InChI:   InChI=1/C23H25NO2/c1-2-24-12-18(23-9-14-3-15(10-23)5-16(4-14)11-23)7-20(24)19-8-22-21(6-17(1)19)25-13-26-22/h6-8,12,14-16H,1-5,9-11,13H2/t14-,15+,16-,23-

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Potential Energy
Epot(MMFF94)=74.8638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.458 g/mol  logS: -6.74759  SlogP: 5.17407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0629121  Sterimol/B1: 3.73385  Sterimol/B2: 3.85373  Sterimol/B3: 4.12937
  Sterimol/B4: 5.57324  Sterimol/L: 16.5178 
 
 Surface and Volume Properties
  Accessible surface: 570.191  Positive charged surface: 432.87  Negative charged surface: 137.321  Volume: 341.375
  Hydrophobic surface: 498.02  Hydrophilic surface: 72.171
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.