MMsINC Database Search


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MMsINC code: MMs01509319

Type: Neutral
Formula: C₁₉H₁₇NO₄

SMILES:

o1cc(c2c1cc(OC)cc2)CC(=O)Nc1cc(ccc1)C(=O)C

InChI:

InChI=1/C19H17NO4/c1-12(21)13-4-3-5-15(8-13)20-19(22)9-14-11-24-18-10-16(23-2)6-7-17(14)18/h3-8,10-11H,9H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8904 kcal/mol

Physical Properties
Molecular Weight: 323.348 g/mol	logS: -5.22432	SlogP: 3.82517	Reactive groups: 0

Topological Properties
Globularity: 0.134105	Sterimol/B1: 2.20994	Sterimol/B2: 3.13479	Sterimol/B3: 5.73607
Sterimol/B4: 7.09277	Sterimol/L: 16.7738

Surface and Volume Properties
Accessible surface: 590.792	Positive charged surface: 364.505	Negative charged surface: 222.559	Volume: 307.75
Hydrophobic surface: 491.045	Hydrophilic surface: 99.747

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.