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MMsINC code: MMs01996113

Type: Neutral
Formula: C₂₃H₁₉NO₅

SMILES:

O(C(=O)c1ccc(NC(=O)c2ccccc2-c2ccccc2C(O)=O)cc1)CC

InChI:

InChI=1/C23H19NO5/c1-2-29-23(28)15-11-13-16(14-12-15)24-21(25)19-9-5-3-7-17(19)18-8-4-6-10-20(18)22(26)27/h3-14H,2H2,1H3,(H,24,25)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.476 kcal/mol

Physical Properties
Molecular Weight: 389.407 g/mol	logS: -6.45959	SlogP: 4.4808	Reactive groups: 0

Topological Properties
Globularity: 0.0710675	Sterimol/B1: 4.05331	Sterimol/B2: 4.68219	Sterimol/B3: 5.57718
Sterimol/B4: 6.51374	Sterimol/L: 18.5074

Surface and Volume Properties
Accessible surface: 655.695	Positive charged surface: 395.871	Negative charged surface: 258.744	Volume: 363.125
Hydrophobic surface: 512.279	Hydrophilic surface: 143.416

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01996114
IFLAB-ZINC02700795