MMsINC Database Search


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MMsINC code: MMs02215681

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C(=O)NC)c1cc2c(cc1C(=O)Nc1ccccc1)cccc2

InChI:

InChI=1/C19H16N2O3/c1-20-19(23)24-17-12-14-8-6-5-7-13(14)11-16(17)18(22)21-15-9-3-2-4-10-15/h2-12H,1H3,(H,20,23)(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3631 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.42013	SlogP: 3.8103	Reactive groups: 0

Topological Properties
Globularity: 0.052043	Sterimol/B1: 2.15949	Sterimol/B2: 2.38954	Sterimol/B3: 4.15842
Sterimol/B4: 9.92179	Sterimol/L: 16.295

Surface and Volume Properties
Accessible surface: 579.281	Positive charged surface: 345.096	Negative charged surface: 221.681	Volume: 306.25
Hydrophobic surface: 499.195	Hydrophilic surface: 80.086

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.