MMsINC Database Search


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MMsINC code: MMs02150579

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(c1ccc(cc1)C(C)(C)C)c1ncc(NC(=O)c2cc(OC)c(OC)cc2)cc1

InChI:

InChI=1/C24H26N2O4/c1-24(2,3)17-7-10-19(11-8-17)30-22-13-9-18(15-25-22)26-23(27)16-6-12-20(28-4)21(14-16)29-5/h6-15H,1-5H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.316 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -6.31104	SlogP: 5.4409	Reactive groups: 0

Topological Properties
Globularity: 0.0357485	Sterimol/B1: 2.36741	Sterimol/B2: 4.96816	Sterimol/B3: 5.50499
Sterimol/B4: 5.54284	Sterimol/L: 21.1322

Surface and Volume Properties
Accessible surface: 728.683	Positive charged surface: 514.635	Negative charged surface: 214.048	Volume: 400.625
Hydrophobic surface: 615.009	Hydrophilic surface: 113.674

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.