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MMsINC code: MMs02826629

Type: Neutral
Formula: C₁₉H₁₅NO₂

SMILES:

OC(=O)c1ccccc1Nc1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C19H15NO2/c21-19(22)17-8-4-5-9-18(17)20-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13,20H,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.271 kcal/mol

Physical Properties
Molecular Weight: 289.334 g/mol	logS: -5.40098	SlogP: 4.7954	Reactive groups: 0

Topological Properties
Globularity: 0.104089	Sterimol/B1: 3.4119	Sterimol/B2: 3.97573	Sterimol/B3: 5.22299
Sterimol/B4: 5.50113	Sterimol/L: 15.8773

Surface and Volume Properties
Accessible surface: 529.902	Positive charged surface: 283.252	Negative charged surface: 235.579	Volume: 282.75
Hydrophobic surface: 436.658	Hydrophilic surface: 93.244

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02826630
PUBCHEM-ZINC01852734