MMsINC Database Search


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MMsINC code: MMs02217848

Type: Neutral
Formula: C₂₄H₂₄N₂O₄

SMILES:

O(CC(=O)Nc1cc(NC(=O)COc2ccccc2C)ccc1)c1ccccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.254 kcal/mol

Physical Properties
Molecular Weight: 404.466 g/mol	logS: -5.79944	SlogP: 4.33844	Reactive groups: 0

Topological Properties
Globularity: 0.0133959	Sterimol/B1: 2.22502	Sterimol/B2: 3.49699	Sterimol/B3: 4.63806
Sterimol/B4: 6.31131	Sterimol/L: 24.1389

Surface and Volume Properties
Accessible surface: 735.723	Positive charged surface: 455.344	Negative charged surface: 280.379	Volume: 394.625
Hydrophobic surface: 639.503	Hydrophilic surface: 96.22

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.