MMsINC Database Search


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MMsINC code: MMs02770545

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C(=O)c1ccccc1N)CC(=O)Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C19H16N2O3/c20-17-8-4-3-7-16(17)19(23)24-12-18(22)21-15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12,20H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.953 kcal/mol

Physical Properties
Molecular Weight: 320.348 g/mol	logS: -5.3618	SlogP: 3.2175	Reactive groups: 0

Topological Properties
Globularity: 0.0135846	Sterimol/B1: 2.48586	Sterimol/B2: 3.37341	Sterimol/B3: 3.95109
Sterimol/B4: 4.65001	Sterimol/L: 19.1772

Surface and Volume Properties
Accessible surface: 585.16	Positive charged surface: 338.304	Negative charged surface: 235.373	Volume: 305.375
Hydrophobic surface: 457.15	Hydrophilic surface: 128.01

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.