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NCID-ZINC05823936

 MMsINC code: MMs02503037
Type: Neutral
Formula: C23H20N2O
SMILES:   O1CC2C(N(N=C2c2ccccc2)c2ccccc2)c2cc(ccc12)C
InChI:   InChI=1/C23H20N2O/c1-16-12-13-21-19(14-16)23-20(15-26-21)22(17-8-4-2-5-9-17)24-25(23)18-10-6-3-7-11-18/h2-14,20,23H,15H2,1H3/t20-,23-/m1/s1

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Potential Energy
Epot(MMFF94)=126.947 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.426 g/mol  logS: -5.72765  SlogP: 5.06472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903439  Sterimol/B1: 2.58738  Sterimol/B2: 4.78442  Sterimol/B3: 4.80267
  Sterimol/B4: 6.63769  Sterimol/L: 15.4792 
 
 Surface and Volume Properties
  Accessible surface: 578.656  Positive charged surface: 347.761  Negative charged surface: 230.895  Volume: 341
  Hydrophobic surface: 554.571  Hydrophilic surface: 24.085
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.