MMsINC Database Search


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MMsINC code: MMs02197369

Type: Neutral
Formula: C₂₆H₁₉N₃O₂

SMILES:

O=C1N(c2c(N=C1c1ccccc1NC(=O)c1ccccc1)cc1c(c2)cccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.02 kcal/mol

Physical Properties
Molecular Weight: 405.457 g/mol	logS: -7.70123	SlogP: 5.1893	Reactive groups: 0

Topological Properties
Globularity: 0.119618	Sterimol/B1: 2.30171	Sterimol/B2: 5.67034	Sterimol/B3: 6.82672
Sterimol/B4: 8.31149	Sterimol/L: 16.5464

Surface and Volume Properties
Accessible surface: 658.796	Positive charged surface: 366.622	Negative charged surface: 282.058	Volume: 388.125
Hydrophobic surface: 604.402	Hydrophilic surface: 54.394

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.