MMsINC Database Search


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MMsINC code: MMs00312468

Type: Neutral
Formula: C₂₅H₂₆N₂O₄

SMILES:

O(C)c1cc(ccc1OC)C(=O)N(CC(=O)NCc1ccccc1)c1ccccc1C

InChI:

InChI=1/C25H26N2O4/c1-18-9-7-8-12-21(18)27(17-24(28)26-16-19-10-5-4-6-11-19)25(29)20-13-14-22(30-2)23(15-20)31-3/h4-15H,16-17H2,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.552 kcal/mol

Physical Properties
Molecular Weight: 418.493 g/mol	logS: -5.45058	SlogP: 4.24182	Reactive groups: 0

Topological Properties
Globularity: 0.0747795	Sterimol/B1: 2.02168	Sterimol/B2: 3.09199	Sterimol/B3: 6.72496
Sterimol/B4: 9.7609	Sterimol/L: 20.4473

Surface and Volume Properties
Accessible surface: 726.679	Positive charged surface: 497.602	Negative charged surface: 229.076	Volume: 413.75
Hydrophobic surface: 644.423	Hydrophilic surface: 82.256

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.