MMsINC Database Search


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MMsINC code: MMs02703577

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O=C/1N(Cc2ccccc2)C(=O)N\C\1=C\c1ccc(cc1)C(OC)=O

InChI:

InChI=1/C19H16N2O4/c1-25-18(23)15-9-7-13(8-10-15)11-16-17(22)21(19(24)20-16)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,24)/b16-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1653 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -4.52339	SlogP: 2.8325	Reactive groups: 0

Topological Properties
Globularity: 0.0756198	Sterimol/B1: 3.49347	Sterimol/B2: 3.82216	Sterimol/B3: 3.86906
Sterimol/B4: 6.92086	Sterimol/L: 17.3286

Surface and Volume Properties
Accessible surface: 586.383	Positive charged surface: 369.851	Negative charged surface: 216.531	Volume: 310.125
Hydrophobic surface: 453.616	Hydrophilic surface: 132.767

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.