MMsINC Database Search


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MMsINC code: MMs01598234

Type: Neutral
Formula: C₂₄H₂₀N₂O₅

SMILES:

O(C(=O)c1ccccc1NC(=O)c1ccccc1)CC(=O)Nc1ccccc1C(=O)C

InChI:

InChI=1/C24H20N2O5/c1-16(27)18-11-5-7-13-20(18)25-22(28)15-31-24(30)19-12-6-8-14-21(19)26-23(29)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,25,28)(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.026 kcal/mol

Physical Properties
Molecular Weight: 416.433 g/mol	logS: -6.0453	SlogP: 3.937	Reactive groups: 0

Topological Properties
Globularity: 0.0213484	Sterimol/B1: 2.53118	Sterimol/B2: 3.33211	Sterimol/B3: 4.57666
Sterimol/B4: 9.77533	Sterimol/L: 19.8892

Surface and Volume Properties
Accessible surface: 704.089	Positive charged surface: 398.372	Negative charged surface: 305.718	Volume: 388.375
Hydrophobic surface: 581.062	Hydrophilic surface: 123.027

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.