MMsINC Database Search


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MMsINC code: MMs00645743

Type: Neutral
Formula: C₂₄H₂₄N₂O₅

SMILES:

O(C)c1ccc(OC)cc1NC(=O)COc1ccc(cc1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C24H24N2O5/c1-16-4-8-18(9-5-16)25-24(28)17-6-10-19(11-7-17)31-15-23(27)26-21-14-20(29-2)12-13-22(21)30-3/h4-14H,15H2,1-3H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.916 kcal/mol

Physical Properties
Molecular Weight: 420.465 g/mol	logS: -5.97636	SlogP: 4.28202	Reactive groups: 0

Topological Properties
Globularity: 0.0109185	Sterimol/B1: 3.04606	Sterimol/B2: 3.24932	Sterimol/B3: 5.60693
Sterimol/B4: 5.65798	Sterimol/L: 23.9288

Surface and Volume Properties
Accessible surface: 765.934	Positive charged surface: 503.598	Negative charged surface: 262.336	Volume: 404.25
Hydrophobic surface: 660.721	Hydrophilic surface: 105.213

Pharmacophoric Properties
Hydrogen bond donors: 2	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.