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MMsINC code: MMs00642288

Type: Neutral
Formula: C₂₆H₁₉N₃O₂

SMILES:

o1c2c(nc1-c1cccnc1)cc(NC(=O)C(c1ccccc1)c1ccccc1)cc2

InChI:

InChI=1/C26H19N3O2/c30-25(24(18-8-3-1-4-9-18)19-10-5-2-6-11-19)28-21-13-14-23-22(16-21)29-26(31-23)20-12-7-15-27-17-20/h1-17,24H,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.184 kcal/mol

Physical Properties
Molecular Weight: 405.457 g/mol	logS: -7.11633	SlogP: 5.6604	Reactive groups: 0

Topological Properties
Globularity: 0.0539513	Sterimol/B1: 2.28404	Sterimol/B2: 3.17182	Sterimol/B3: 4.82629
Sterimol/B4: 9.35317	Sterimol/L: 18.7393

Surface and Volume Properties
Accessible surface: 688.188	Positive charged surface: 419.068	Negative charged surface: 269.12	Volume: 390.5
Hydrophobic surface: 608.017	Hydrophilic surface: 80.171

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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.