MMsINC Database Search


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MMsINC code: MMs01984896

Type: Neutral
Formula: C₁₈H₁₄N₂O₄

SMILES:

O=C1N(C)C(=O)c2c1cc(NC(=O)c1ccc(cc1)C(=O)C)cc2

InChI:

InChI=1/C18H14N2O4/c1-10(21)11-3-5-12(6-4-11)16(22)19-13-7-8-14-15(9-13)18(24)20(2)17(14)23/h3-9H,1-2H3,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4667 kcal/mol

Physical Properties
Molecular Weight: 322.32 g/mol	logS: -4.21699	SlogP: 2.3673	Reactive groups: 0

Topological Properties
Globularity: 0.0149376	Sterimol/B1: 2.49274	Sterimol/B2: 3.37703	Sterimol/B3: 4.06734
Sterimol/B4: 4.56548	Sterimol/L: 18.9604

Surface and Volume Properties
Accessible surface: 560.292	Positive charged surface: 320.275	Negative charged surface: 240.017	Volume: 293.25
Hydrophobic surface: 393.684	Hydrophilic surface: 166.608

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.