MMsINC Database Search


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MMsINC code: MMs01177816

Type: Neutral
Formula: C₂₃H₁₉N₃O

SMILES:

O=C(N(Cc1ccccc1)Cc1ccccc1)c1nc2ncccc2cc1

InChI:

InChI=1/C23H19N3O/c27-23(21-14-13-20-12-7-15-24-22(20)25-21)26(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-15H,16-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.654 kcal/mol

Physical Properties
Molecular Weight: 353.425 g/mol	logS: -6.15376	SlogP: 5.0052	Reactive groups: 0

Topological Properties
Globularity: 0.139822	Sterimol/B1: 3.10769	Sterimol/B2: 3.22637	Sterimol/B3: 5.0278
Sterimol/B4: 8.4522	Sterimol/L: 15.426

Surface and Volume Properties
Accessible surface: 598.077	Positive charged surface: 339.568	Negative charged surface: 253.368	Volume: 350.875
Hydrophobic surface: 544.34	Hydrophilic surface: 53.737

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.