MMsINC Database Search


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MMsINC code: MMs00089125

Type: Neutral
Formula: C₂₀H₁₆N₂O₄

SMILES:

Oc1ccccc1NC(=O)c1ccc(cc1)C(=O)Nc1ccccc1O

InChI:

InChI=1/C20H16N2O4/c23-17-7-3-1-5-15(17)21-19(25)13-9-11-14(12-10-13)20(26)22-16-6-2-4-8-18(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)=119.297 kcal/mol

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

Topological Properties
Globularity: 0.00880026	Sterimol/B1: 2.14549	Sterimol/B2: 3.18578	Sterimol/B3: 3.45836
Sterimol/B4: 5.29619	Sterimol/L: 20.5371

Surface and Volume Properties
Accessible surface: 601.306	Positive charged surface: 336.339	Negative charged surface: 264.967	Volume: 323.25
Hydrophobic surface: 441.966	Hydrophilic surface: 159.34

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.