MMsINC Database Search


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MMsINC code: MMs02664160

Type: Neutral
Formula: C₁₅H₁₆N₂O₄

SMILES:

O(C)c1cc(OC)c(OC)cc1C(=O)Nc1ncccc1

InChI:

InChI=1/C15H16N2O4/c1-19-11-9-13(21-3)12(20-2)8-10(11)15(18)17-14-6-4-5-7-16-14/h4-9H,1-3H3,(H,16,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.319 kcal/mol

Physical Properties
Molecular Weight: 288.303 g/mol	logS: -2.55913	SlogP: 2.3597	Reactive groups: 0

Topological Properties
Globularity: 0.0100935	Sterimol/B1: 2.39074	Sterimol/B2: 2.48235	Sterimol/B3: 2.4966
Sterimol/B4: 9.71837	Sterimol/L: 16.2772

Surface and Volume Properties
Accessible surface: 539.129	Positive charged surface: 426.15	Negative charged surface: 112.979	Volume: 271.5
Hydrophobic surface: 469.416	Hydrophilic surface: 69.713

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.