MMsINC Database Search


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MMsINC code: MMs02197738

Type: Neutral
Formula: C₂₀H₁₆N₂O₃

SMILES:

Oc1ccc(cc1)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1

InChI:

InChI=1/C20H16N2O3/c23-18-12-6-15(7-13-18)20(25)22-17-10-8-16(9-11-17)21-19(24)14-4-2-1-3-5-14/h1-13,23H,(H,21,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.859 kcal/mol

Physical Properties
Molecular Weight: 332.359 g/mol	logS: -4.96291	SlogP: 3.8968	Reactive groups: 0

Topological Properties
Globularity: 0.0206909	Sterimol/B1: 2.672	Sterimol/B2: 3.13496	Sterimol/B3: 3.62526
Sterimol/B4: 3.88736	Sterimol/L: 21.1327

Surface and Volume Properties
Accessible surface: 597.329	Positive charged surface: 324.309	Negative charged surface: 273.02	Volume: 313.25
Hydrophobic surface: 472.249	Hydrophilic surface: 125.08

Pharmacophoric Properties
Hydrogen bond donors: 3	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.