MMsINC Database Search


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MMsINC code: MMs02967130

Type: Neutral
Formula: C₁₉H₁₆N₂O₄

SMILES:

O(Cc1ccc(cc1)C)c1ccc(cc1)C=C1C(=O)NC(=O)NC1=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.1221 kcal/mol

Physical Properties
Molecular Weight: 336.347 g/mol	logS: -5.1033	SlogP: 2.58982	Reactive groups: 0

Topological Properties
Globularity: 0.031372	Sterimol/B1: 3.00035	Sterimol/B2: 3.55743	Sterimol/B3: 4.13745
Sterimol/B4: 4.65916	Sterimol/L: 19.0797

Surface and Volume Properties
Accessible surface: 588.733	Positive charged surface: 339.643	Negative charged surface: 249.09	Volume: 309.125
Hydrophobic surface: 394.403	Hydrophilic surface: 194.33

Pharmacophoric Properties
Hydrogen bond donors: 2	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.