MMsINC Database Search


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MMsINC code: MMs00606029

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O(C)c1c(OC)c(OC)ccc1C(=O)Nc1cc2c(nc1)cccc2

InChI:

InChI=1/C19H18N2O4/c1-23-16-9-8-14(17(24-2)18(16)25-3)19(22)21-13-10-12-6-4-5-7-15(12)20-11-13/h4-11H,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.76 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.09455	SlogP: 3.5129	Reactive groups: 0

Topological Properties
Globularity: 0.0367428	Sterimol/B1: 2.47517	Sterimol/B2: 2.83419	Sterimol/B3: 3.86939
Sterimol/B4: 7.01151	Sterimol/L: 18.1868

Surface and Volume Properties
Accessible surface: 596.87	Positive charged surface: 441.663	Negative charged surface: 150.304	Volume: 318
Hydrophobic surface: 535.141	Hydrophilic surface: 61.729

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.