MMsINC Database Search


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MMsINC code: MMs01263509

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O=C(Nc1c2c(ccc1)cccc2)c1cc(NC(=O)C)ccc1

InChI:

InChI=1/C19H16N2O2/c1-13(22)20-16-9-4-8-15(12-16)19(23)21-18-11-5-7-14-6-2-3-10-17(14)18/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)=100.81 kcal/mol

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

Topological Properties
Globularity: 0.0136927	Sterimol/B1: 2.54564	Sterimol/B2: 3.18037	Sterimol/B3: 3.63316
Sterimol/B4: 6.86295	Sterimol/L: 17.2897

Surface and Volume Properties
Accessible surface: 559.467	Positive charged surface: 302.054	Negative charged surface: 245.942	Volume: 296.25
Hydrophobic surface: 477.022	Hydrophilic surface: 82.445

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.