MMsINC Database Search


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MMsINC code: MMs00742560

Type: Neutral
Formula: C₁₈H₁₄N₂O₂

SMILES:

O=C(Nc1ccc(cc1)C(=O)N)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H14N2O2/c19-17(21)13-7-9-16(10-8-13)20-18(22)15-6-5-12-3-1-2-4-14(12)11-15/h1-11H,(H2,19,21)(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.7325 kcal/mol

Physical Properties
Molecular Weight: 290.322 g/mol	logS: -5.48487	SlogP: 3.191	Reactive groups: 0

Topological Properties
Globularity: 0.0102097	Sterimol/B1: 2.42367	Sterimol/B2: 2.72297	Sterimol/B3: 4.01745
Sterimol/B4: 4.28434	Sterimol/L: 18.1305

Surface and Volume Properties
Accessible surface: 531.094	Positive charged surface: 278.934	Negative charged surface: 241.346	Volume: 276.625
Hydrophobic surface: 388.263	Hydrophilic surface: 142.831

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