MMsINC Database Search


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MMsINC code: MMs02080544

Type: Neutral
Formula: C₂₆H₁₉N₃O₂

SMILES:

O=C1N(C(=Nc2c1cccc2)C)c1ccc(NC(=O)c2cc3c(cc2)cccc3)cc1

InChI:

InChI=1/C26H19N3O2/c1-17-27-24-9-5-4-8-23(24)26(31)29(17)22-14-12-21(13-15-22)28-25(30)20-11-10-18-6-2-3-7-19(18)16-20/h2-16H,1H3,(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.029 kcal/mol

Physical Properties
Molecular Weight: 405.457 g/mol	logS: -7.76455	SlogP: 5.8024	Reactive groups: 0

Topological Properties
Globularity: 0.0170366	Sterimol/B1: 2.2651	Sterimol/B2: 2.34711	Sterimol/B3: 4.03426
Sterimol/B4: 6.43712	Sterimol/L: 22.8406

Surface and Volume Properties
Accessible surface: 679.328	Positive charged surface: 367.817	Negative charged surface: 300.957	Volume: 389
Hydrophobic surface: 593.977	Hydrophilic surface: 85.351

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.