MMsINC Database Search


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MMsINC code: MMs01050871

Type: Neutral
Formula: C₁₈H₁₆N₂O₄

SMILES:

O=C1N(Cc2c1cccc2)CC(=O)Nc1ccccc1C(OC)=O

InChI:

InChI=1/C18H16N2O4/c1-24-18(23)14-8-4-5-9-15(14)19-16(21)11-20-10-12-6-2-3-7-13(12)17(20)22/h2-9H,10-11H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.696 kcal/mol

Physical Properties
Molecular Weight: 324.336 g/mol	logS: -3.92558	SlogP: 2.3341	Reactive groups: 0

Topological Properties
Globularity: 0.057792	Sterimol/B1: 2.13309	Sterimol/B2: 3.48626	Sterimol/B3: 4.29954
Sterimol/B4: 8.23437	Sterimol/L: 17.1936

Surface and Volume Properties
Accessible surface: 585.427	Positive charged surface: 380.568	Negative charged surface: 204.859	Volume: 302.625
Hydrophobic surface: 475.542	Hydrophilic surface: 109.885

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.