MMsINC Database Search


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MMsINC code: MMs02571309

Type: Neutral
Formula: C₂₂H₁₉NO₄

SMILES:

O(c1cc(ccc1)COC(=O)CNC(=O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C22H19NO4/c24-21(15-23-22(25)18-9-3-1-4-10-18)26-16-17-8-7-13-20(14-17)27-19-11-5-2-6-12-19/h1-14H,15-16H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4574 kcal/mol

Physical Properties
Molecular Weight: 361.397 g/mol	logS: -5.48979	SlogP: 4.2185	Reactive groups: 1

Topological Properties
Globularity: 0.0268012	Sterimol/B1: 2.6755	Sterimol/B2: 3.82857	Sterimol/B3: 4.53347
Sterimol/B4: 4.94093	Sterimol/L: 22.7416

Surface and Volume Properties
Accessible surface: 674.975	Positive charged surface: 382.415	Negative charged surface: 292.559	Volume: 350.375
Hydrophobic surface: 579.467	Hydrophilic surface: 95.508

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.