MMsINC Database Search


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MMsINC code: MMs01480869

Type: Neutral
Formula: C₂₄H₂₂N₂O₄

SMILES:

O(C(=O)c1ccccc1C(=O)N(C)c1ccccc1)CC(=O)NCc1ccccc1

InChI:

InChI=1/C24H22N2O4/c1-26(19-12-6-3-7-13-19)23(28)20-14-8-9-15-21(20)24(29)30-17-22(27)25-16-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.669 kcal/mol

Physical Properties
Molecular Weight: 402.45 g/mol	logS: -5.57108	SlogP: 3.7028	Reactive groups: 0

Topological Properties
Globularity: 0.0453114	Sterimol/B1: 2.4501	Sterimol/B2: 5.03887	Sterimol/B3: 6.48518
Sterimol/B4: 7.22546	Sterimol/L: 18.6591

Surface and Volume Properties
Accessible surface: 709.198	Positive charged surface: 431.41	Negative charged surface: 277.788	Volume: 388.875
Hydrophobic surface: 616.637	Hydrophilic surface: 92.561

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.