MMsINC Database Search


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MMsINC code: MMs00723245

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(C)c1ccccc1\C=C/1\C(=O)N(Cc2ccccc2)C(=O)NC\1=O

InChI:

InChI=1/C19H16N2O4/c1-25-16-10-6-5-9-14(16)11-15-17(22)20-19(24)21(18(15)23)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,20,22,24)/b15-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.9726 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -4.52339	SlogP: 2.6236	Reactive groups: 0

Topological Properties
Globularity: 0.108945	Sterimol/B1: 2.53875	Sterimol/B2: 4.18908	Sterimol/B3: 4.71205
Sterimol/B4: 6.96054	Sterimol/L: 15.3923

Surface and Volume Properties
Accessible surface: 560.151	Positive charged surface: 359.463	Negative charged surface: 200.688	Volume: 308.5
Hydrophobic surface: 436.008	Hydrophilic surface: 124.143

Pharmacophoric Properties
Hydrogen bond donors: 1	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.