MMsINC Database Search


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MMsINC code: MMs02492775

Type: Neutral
Formula: C₁₅H₁₀N₂O₃

SMILES:

O=C1c2c(ccc(NC(=O)N)c2)C(=O)c2c1cccc2

InChI:

InChI=1/C15H10N2O3/c16-15(20)17-8-5-6-11-12(7-8)14(19)10-4-2-1-3-9(10)13(11)18/h1-7H,(H3,16,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0281 kcal/mol

Physical Properties
Molecular Weight: 266.256 g/mol	logS: -4.0343	SlogP: 1.9526	Reactive groups: 0

Topological Properties
Globularity: 0.00650371	Sterimol/B1: 2.42537	Sterimol/B2: 2.43752	Sterimol/B3: 4.20217
Sterimol/B4: 4.86188	Sterimol/L: 15.0539

Surface and Volume Properties
Accessible surface: 460.958	Positive charged surface: 262.603	Negative charged surface: 198.355	Volume: 236.625
Hydrophobic surface: 260.528	Hydrophilic surface: 200.43

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.