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MMsINC code: MMs02176809

Type: Ionized
Formula: C₂₅H₁₉O₄-

SMILES:

O(C(=O)c1ccc2c(cccc2)c1-c1c2c(ccc1C(=O)[O-])cccc2)C(C)C

InChI:

InChI=1/C25H20O4/c1-15(2)29-25(28)21-14-12-17-8-4-6-10-19(17)23(21)22-18-9-5-3-7-16(18)11-13-20(22)24(26)27/h3-15H,1-2H3,(H,26,27)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.068 kcal/mol

Physical Properties
Molecular Weight: 383.423 g/mol	logS: -8.83302	SlogP: 4.5887	Reactive groups: 0

Topological Properties
Globularity: 0.283687	Sterimol/B1: 5.03957	Sterimol/B2: 5.24202	Sterimol/B3: 5.75429
Sterimol/B4: 7.60855	Sterimol/L: 13.9172

Surface and Volume Properties
Accessible surface: 614.745	Positive charged surface: 330.863	Negative charged surface: 274.307	Volume: 370.625
Hydrophobic surface: 501.702	Hydrophilic surface: 113.043

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs02176808
MDPI-ZINC03843367