MMsINC Database Search


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MMsINC code: MMs02720361

Type: Neutral
Formula: C₂₂H₁₉NO₄

SMILES:

O(C(=O)c1ccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1)C

InChI:

InChI=1/C22H19NO4/c1-27-20(24)16-12-14-19(15-13-16)23-21(25)22(26,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,26H,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.999 kcal/mol

Physical Properties
Molecular Weight: 361.397 g/mol	logS: -5.30196	SlogP: 3.6593	Reactive groups: 0

Topological Properties
Globularity: 0.089433	Sterimol/B1: 3.74324	Sterimol/B2: 4.36548	Sterimol/B3: 5.67841
Sterimol/B4: 5.97654	Sterimol/L: 16.6316

Surface and Volume Properties
Accessible surface: 629.967	Positive charged surface: 378.296	Negative charged surface: 251.671	Volume: 347.125
Hydrophobic surface: 547.467	Hydrophilic surface: 82.5

Pharmacophoric Properties
Hydrogen bond donors: 2	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.