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OTAVA-ZINC01892336

 MMsINC code: MMs02565042
Type: Neutral
Formula: C25H23NO
SMILES:   O1c2c(/C(=N/c3ccc(cc3)CC)/C=C1c1ccccc1)c(cc(c2)C)C
InChI:   InChI=1/C25H23NO/c1-4-19-10-12-21(13-11-19)26-22-16-23(20-8-6-5-7-9-20)27-24-15-17(2)14-18(3)25(22)24/h5-16H,4H2,1-3H3/b26-22+

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Potential Energy
Epot(MMFF94)=128.297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.465 g/mol  logS: -8.4041  SlogP: 6.42011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0303687  Sterimol/B1: 2.48828  Sterimol/B2: 3.93502  Sterimol/B3: 4.24629
  Sterimol/B4: 9.70971  Sterimol/L: 17.3361 
 
 Surface and Volume Properties
  Accessible surface: 645.726  Positive charged surface: 386.239  Negative charged surface: 259.487  Volume: 365.875
  Hydrophobic surface: 614.931  Hydrophilic surface: 30.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.