MMsINC Database Search


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MMsINC code: MMs02155170

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O(c1ncccc1NC(=O)c1cc(OC)c(OC)cc1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H26N2O4/c1-24(2,3)17-9-11-18(12-10-17)30-23-19(7-6-14-25-23)26-22(27)16-8-13-20(28-4)21(15-16)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)=155.038 kcal/mol

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

Topological Properties
Globularity: 0.0410589	Sterimol/B1: 2.73175	Sterimol/B2: 4.11377	Sterimol/B3: 4.68185
Sterimol/B4: 8.88382	Sterimol/L: 20.0378

Surface and Volume Properties
Accessible surface: 721.765	Positive charged surface: 513.435	Negative charged surface: 208.331	Volume: 402.375
Hydrophobic surface: 610.484	Hydrophilic surface: 111.281

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.