MMsINC Database Search


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MMsINC code: MMs00549264

Type: Ionized
Formula: C₁₉H₁₅N₂O₃-

SMILES:

O=C([O-])c1ccccc1NC(=O)CNc1cc2c(cc1)cccc2

InChI:

InChI=1/C19H16N2O3/c22-18(21-17-8-4-3-7-16(17)19(23)24)12-20-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,20H,12H2,(H,21,22)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8577 kcal/mol

Physical Properties
Molecular Weight: 319.34 g/mol	logS: -5.2855	SlogP: 2.2539	Reactive groups: 0

Topological Properties
Globularity: 0.00175662	Sterimol/B1: 2.38003	Sterimol/B2: 2.38156	Sterimol/B3: 4.57027
Sterimol/B4: 4.80552	Sterimol/L: 19.1242

Surface and Volume Properties
Accessible surface: 569.114	Positive charged surface: 294.693	Negative charged surface: 265.107	Volume: 304.75
Hydrophobic surface: 436.387	Hydrophilic surface: 132.727

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs00549263
CHEMBLOCK-ZINC04359288