MMsINC Database Search


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MMsINC code: MMs03217972

Type: Neutral
Formula: C₂₅H₁₉N₃

SMILES:

n1c2cc(Nc3ccccc3)ccc2cc2c1cc(Nc1ccccc1)cc2

InChI:

InChI=1/C25H19N3/c1-3-7-20(8-4-1)26-22-13-11-18-15-19-12-14-23(17-25(19)28-24(18)16-22)27-21-9-5-2-6-10-21/h1-17,26-27H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.969 kcal/mol

Physical Properties
Molecular Weight: 361.448 g/mol	logS: -7.06074	SlogP: 6.8752	Reactive groups: 0

Topological Properties
Globularity: 0.0366376	Sterimol/B1: 2.49929	Sterimol/B2: 3.36974	Sterimol/B3: 4.1218
Sterimol/B4: 8.56831	Sterimol/L: 19.5202

Surface and Volume Properties
Accessible surface: 645.304	Positive charged surface: 359.041	Negative charged surface: 275.723	Volume: 362.875
Hydrophobic surface: 581.741	Hydrophilic surface: 63.563

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.