MMsINC Database Search


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MMsINC code: MMs02677858

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(c1ccc(NC(=O)Nc2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C19H16N2O2/c22-19(20-15-7-3-1-4-8-15)21-16-11-13-18(14-12-16)23-17-9-5-2-6-10-17/h1-14H,(H2,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.6656 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -5.03476	SlogP: 5.1229	Reactive groups: 0

Topological Properties
Globularity: 0.0365713	Sterimol/B1: 2.65097	Sterimol/B2: 3.18455	Sterimol/B3: 4.27333
Sterimol/B4: 4.57914	Sterimol/L: 18.9369

Surface and Volume Properties
Accessible surface: 572.059	Positive charged surface: 326.01	Negative charged surface: 246.048	Volume: 297.5
Hydrophobic surface: 513.372	Hydrophilic surface: 58.687

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: 1

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Ions/Tautomers related molecules: no related molecules available.