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PUBCHEM-ZINC05930628

 MMsINC code: MMs03449250
Type: Neutral
Formula: C23H27N3O2
SMILES:   Oc1cc(C)c(N2\C(=C/c3ccc(N(C)C)cc3)\C(=O)N=C2C)cc1C(C)C
InChI:   InChI=1/C23H27N3O2/c1-14(2)19-13-20(15(3)11-22(19)27)26-16(4)24-23(28)21(26)12-17-7-9-18(10-8-17)25(5)6/h7-14,27H,1-6H3/b21-12-

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Potential Energy
Epot(MMFF94)=161.964 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.488 g/mol  logS: -5.37537  SlogP: 4.69612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.244237  Sterimol/B1: 2.54702  Sterimol/B2: 3.35832  Sterimol/B3: 5.74775
  Sterimol/B4: 8.62156  Sterimol/L: 13.7596 
 
 Surface and Volume Properties
  Accessible surface: 574.235  Positive charged surface: 392.416  Negative charged surface: 181.819  Volume: 380.625
  Hydrophobic surface: 430.909  Hydrophilic surface: 143.326
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.