MMsINC Database Search


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MMsINC code: MMs02771500

Type: Neutral
Formula: C₁₉H₁₆N₂O₃

SMILES:

O(C(=O)c1ccccc1N)CC(=O)Nc1c2c(ccc1)cccc2

InChI:

InChI=1/C19H16N2O3/c20-16-10-4-3-9-15(16)19(23)24-12-18(22)21-17-11-5-7-13-6-1-2-8-14(13)17/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)=111.678 kcal/mol

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

Topological Properties
Globularity: 0.013458	Sterimol/B1: 2.20182	Sterimol/B2: 3.38706	Sterimol/B3: 3.4299
Sterimol/B4: 6.17151	Sterimol/L: 18.3077

Surface and Volume Properties
Accessible surface: 571.991	Positive charged surface: 329.516	Negative charged surface: 232.117	Volume: 301.625
Hydrophobic surface: 456.37	Hydrophilic surface: 115.621

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.