MMsINC Database Search


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MMsINC code: MMs00521020

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(C)c1cc(ccc1OC)CC(=O)Nc1ccc(cc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C24H24N2O4/c1-29-21-13-8-18(14-22(21)30-2)15-23(27)26-20-11-9-19(10-12-20)24(28)25-16-17-6-4-3-5-7-17/h3-14H,15-16H2,1-2H3,(H,25,28)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.726 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.43113	SlogP: 4.08137	Reactive groups: 0

Topological Properties
Globularity: 0.0702157	Sterimol/B1: 2.30242	Sterimol/B2: 3.54215	Sterimol/B3: 5.80559
Sterimol/B4: 9.9983	Sterimol/L: 18.0106

Surface and Volume Properties
Accessible surface: 734.963	Positive charged surface: 498.117	Negative charged surface: 236.846	Volume: 394.75
Hydrophobic surface: 633.492	Hydrophilic surface: 101.471

Pharmacophoric Properties
Hydrogen bond donors: 2	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.