MMsINC Database Search


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MMsINC code: MMs00290898

Type: Neutral
Formula: C₁₆H₁₄N₂O₄

SMILES:

O=C1N(CCCC(=O)NO)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C16H14N2O4/c19-13(17-22)8-3-9-18-15(20)11-6-1-4-10-5-2-7-12(14(10)11)16(18)21/h1-2,4-7,22H,3,8-9H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3129 kcal/mol

Physical Properties
Molecular Weight: 298.298 g/mol	logS: -3.97825	SlogP: 1.7214	Reactive groups: 0

Topological Properties
Globularity: 0.0523437	Sterimol/B1: 2.43989	Sterimol/B2: 3.24388	Sterimol/B3: 3.70872
Sterimol/B4: 7.23968	Sterimol/L: 16.3207

Surface and Volume Properties
Accessible surface: 516.502	Positive charged surface: 294.187	Negative charged surface: 211.244	Volume: 268.625
Hydrophobic surface: 325.968	Hydrophilic surface: 190.534

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.