MMsINC Database Search


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MMsINC code: MMs02628393

Type: Neutral
Formula: C₂₀H₁₆N₂O₄

SMILES:

Oc1ccccc1NC(=O)c1ccccc1C(=O)Nc1ccccc1O

InChI:

InChI=1/C20H16N2O4/c23-17-11-5-3-9-15(17)21-19(25)13-7-1-2-8-14(13)20(26)22-16-10-4-6-12-18(16)24/h1-12,23-24H,(H,21,25)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.322 kcal/mol

Physical Properties
Molecular Weight: 348.358 g/mol	logS: -4.60096	SlogP: 3.6024	Reactive groups: 0

Topological Properties
Globularity: 0.106112	Sterimol/B1: 2.4615	Sterimol/B2: 3.18826	Sterimol/B3: 4.65655
Sterimol/B4: 10.1563	Sterimol/L: 14.2826

Surface and Volume Properties
Accessible surface: 597.899	Positive charged surface: 342.797	Negative charged surface: 255.102	Volume: 321.125
Hydrophobic surface: 461.233	Hydrophilic surface: 136.666

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.