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PUBCHEM-ZINC01011390

 MMsINC code: MMs02756419
Type: Neutral
Formula: C24H19N3O2
SMILES:   o1c2c(cc1C(=O)N\N=C\c1c3c(n(C)c1C)cccc3)c1c(cc2)cccc1
InChI:   InChI=1/C24H19N3O2/c1-15-20(18-9-5-6-10-21(18)27(15)2)14-25-26-24(28)23-13-19-17-8-4-3-7-16(17)11-12-22(19)29-23/h3-14H,1-2H3,(H,26,28)/b25-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.568 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.435 g/mol  logS: -7.51158  SlogP: 5.50922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00209896  Sterimol/B1: 1.969  Sterimol/B2: 2.10361  Sterimol/B3: 2.51218
  Sterimol/B4: 8.55367  Sterimol/L: 20.7605 
 
 Surface and Volume Properties
  Accessible surface: 665.777  Positive charged surface: 376.364  Negative charged surface: 267.535  Volume: 371
  Hydrophobic surface: 576.473  Hydrophilic surface: 89.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.