MMsINC Database Search


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MMsINC code: MMs00527050

Type: Neutral
Formula: C₂₂H₁₆N₂O₂

SMILES:

O(c1ccccc1C(=O)Nc1cc2c(nccc2)cc1)c1ccccc1

InChI:

InChI=1/C22H16N2O2/c25-22(24-17-12-13-20-16(15-17)7-6-14-23-20)19-10-4-5-11-21(19)26-18-8-2-1-3-9-18/h1-15H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.802 kcal/mol

Physical Properties
Molecular Weight: 340.382 g/mol	logS: -5.72612	SlogP: 5.2794	Reactive groups: 0

Topological Properties
Globularity: 0.0427317	Sterimol/B1: 2.45387	Sterimol/B2: 3.32509	Sterimol/B3: 3.68079
Sterimol/B4: 8.73526	Sterimol/L: 17.1168

Surface and Volume Properties
Accessible surface: 602.382	Positive charged surface: 345.974	Negative charged surface: 250.875	Volume: 328.625
Hydrophobic surface: 548.556	Hydrophilic surface: 53.826

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