MMsINC Database Search


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MMsINC code: MMs00273557

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C(Nc1c2c(ccc1)cccc2)C(=O)NCc1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.5208 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -5.40532	SlogP: 3.3611	Reactive groups: 0

Topological Properties
Globularity: 0.0402587	Sterimol/B1: 3.33576	Sterimol/B2: 4.23573	Sterimol/B3: 4.50821
Sterimol/B4: 5.347	Sterimol/L: 17.939

Surface and Volume Properties
Accessible surface: 567.09	Positive charged surface: 305.256	Negative charged surface: 251.464	Volume: 298
Hydrophobic surface: 473.602	Hydrophilic surface: 93.488

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.