MMsINC Database Search


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MMsINC code: MMs01301776

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C(Nc1ccc(NC(=O)C)cc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H16N2O2/c1-13(22)20-17-8-10-18(11-9-17)21-19(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-12H,1H3,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.6887 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -5.4422	SlogP: 4.0505	Reactive groups: 0

Topological Properties
Globularity: 0.0115241	Sterimol/B1: 2.73671	Sterimol/B2: 3.00078	Sterimol/B3: 3.45673
Sterimol/B4: 4.94436	Sterimol/L: 19.47

Surface and Volume Properties
Accessible surface: 552.129	Positive charged surface: 308.8	Negative charged surface: 234.705	Volume: 294.375
Hydrophobic surface: 463.47	Hydrophilic surface: 88.659

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.