MMsINC Database Search


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MMsINC code: MMs00491551

Type: Neutral
Formula: C₂₀H₁₆N₂O₄

SMILES:

Oc1ccccc1NC(=O)c1cc(ccc1)C(=O)Nc1ccccc1O

InChI:

InChI=1/C20H16N2O4/c23-17-10-3-1-8-15(17)21-19(25)13-6-5-7-14(12-13)20(26)22-16-9-2-4-11-18(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)=116.284 kcal/mol

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

Topological Properties
Globularity: 0.0136788	Sterimol/B1: 2.56733	Sterimol/B2: 2.71498	Sterimol/B3: 3.01959
Sterimol/B4: 7.27579	Sterimol/L: 19.3867

Surface and Volume Properties
Accessible surface: 603.405	Positive charged surface: 334.534	Negative charged surface: 268.871	Volume: 319.625
Hydrophobic surface: 445.731	Hydrophilic surface: 157.674

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.