MMsINC Database Search


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MMsINC code: MMs03086118

Type: Neutral
Formula: C₁₆H₁₀N₂O₄

SMILES:

O=C1N(C)C(=O)c2c3c1ccc1c3c(cc2)C(=O)N(C)C1=O

InChI:

InChI=1/C16H10N2O4/c1-17-13(19)7-3-5-9-12-10(16(22)18(2)15(9)21)6-4-8(11(7)12)14(17)20/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3405 kcal/mol

Physical Properties
Molecular Weight: 294.266 g/mol	logS: -4.36246	SlogP: 1.2914	Reactive groups: 0

Topological Properties
Globularity: 0.0091498	Sterimol/B1: 2.09916	Sterimol/B2: 2.51314	Sterimol/B3: 4.83982
Sterimol/B4: 4.83999	Sterimol/L: 13.9201

Surface and Volume Properties
Accessible surface: 459.883	Positive charged surface: 285.633	Negative charged surface: 163.629	Volume: 251.125
Hydrophobic surface: 315.255	Hydrophilic surface: 144.628

Pharmacophoric Properties
Hydrogen bond donors: 0	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.