MMsINC Database Search


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MMsINC code: MMs01569527

Type: Neutral
Formula: C₂₄H₂₀N₂O₅

SMILES:

O(C(=O)c1ccccc1NC(=O)Cc1ccccc1)CC(=O)NC(=O)c1ccccc1

InChI:

InChI=1/C24H20N2O5/c27-21(15-17-9-3-1-4-10-17)25-20-14-8-7-13-19(20)24(30)31-16-22(28)26-23(29)18-11-5-2-6-12-18/h1-14H,15-16H2,(H,25,27)(H,26,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.526 kcal/mol

Physical Properties
Molecular Weight: 416.433 g/mol	logS: -6.12585	SlogP: 2.98117	Reactive groups: 0

Topological Properties
Globularity: 0.0182895	Sterimol/B1: 2.87279	Sterimol/B2: 3.22335	Sterimol/B3: 4.15927
Sterimol/B4: 9.04162	Sterimol/L: 22.7986

Surface and Volume Properties
Accessible surface: 731.147	Positive charged surface: 417.053	Negative charged surface: 314.095	Volume: 390.5
Hydrophobic surface: 595.692	Hydrophilic surface: 135.455

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.