MMsINC Database Search


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MMsINC code: MMs00102432

Type: Neutral
Formula: C₁₉H₁₄N₂O₂

SMILES:

O1c2c(cccc2)C(c2c1cccc2)C(=O)Nc1ncccc1

InChI:

InChI=1/C19H14N2O2/c22-19(21-17-11-5-6-12-20-17)18-13-7-1-3-9-15(13)23-16-10-4-2-8-14(16)18/h1-12,18H,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.5531 kcal/mol

Physical Properties
Molecular Weight: 302.333 g/mol	logS: -4.66087	SlogP: 3.9579	Reactive groups: 0

Topological Properties
Globularity: 0.120153	Sterimol/B1: 2.4071	Sterimol/B2: 2.75182	Sterimol/B3: 4.25106
Sterimol/B4: 9.33312	Sterimol/L: 13.961

Surface and Volume Properties
Accessible surface: 534.965	Positive charged surface: 312.826	Negative charged surface: 222.138	Volume: 286
Hydrophobic surface: 496.587	Hydrophilic surface: 38.378

Pharmacophoric Properties
Hydrogen bond donors: 1	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.