MMsINC Database Search


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MMsINC code: MMs02684999

Type: Neutral
Formula: C₂₀H₁₄N₂O₃

SMILES:

O=C1N(C(=O)c2c1cc1c(c2)cccc1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C20H14N2O3/c1-12(23)21-15-6-8-16(9-7-15)22-19(24)17-10-13-4-2-3-5-14(13)11-18(17)20(22)25/h2-11H,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.289 kcal/mol

Physical Properties
Molecular Weight: 330.343 g/mol	logS: -5.84592	SlogP: 3.5988	Reactive groups: 0

Topological Properties
Globularity: 0.00530344	Sterimol/B1: 2.34349	Sterimol/B2: 2.74627	Sterimol/B3: 3.69838
Sterimol/B4: 4.49701	Sterimol/L: 19.2104

Surface and Volume Properties
Accessible surface: 565.293	Positive charged surface: 296.264	Negative charged surface: 258.214	Volume: 304.375
Hydrophobic surface: 443.078	Hydrophilic surface: 122.215

Pharmacophoric Properties
Hydrogen bond donors: 1	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.