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OTAVA-ZINC01927711

 MMsINC code: MMs02568340
Type: Neutral
Formula: C24H21NO
SMILES:   O1c2c(cc(cc2)C)/C(=N/c2ccccc2CC)/C=C1c1ccccc1
InChI:   InChI=1/C24H21NO/c1-3-18-9-7-8-12-21(18)25-22-16-24(19-10-5-4-6-11-19)26-23-14-13-17(2)15-20(22)23/h4-16H,3H2,1-2H3/b25-22+

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Potential Energy
Epot(MMFF94)=101.782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.438 g/mol  logS: -7.61673  SlogP: 6.11169  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0746552  Sterimol/B1: 2.88026  Sterimol/B2: 4.34452  Sterimol/B3: 4.68714
  Sterimol/B4: 9.60247  Sterimol/L: 14.5661 
 
 Surface and Volume Properties
  Accessible surface: 632.811  Positive charged surface: 366.605  Negative charged surface: 266.207  Volume: 352.625
  Hydrophobic surface: 604.097  Hydrophilic surface: 28.714
 
 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.