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MMsINC code: MMs00207730

Type: Neutral
Formula: C₂₄H₂₀O₄

SMILES:

O(C(=O)C1C(C(C(O)=O)C1c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H20O4/c25-23(26)21-19(16-10-4-1-5-11-16)22(20(21)17-12-6-2-7-13-17)24(27)28-18-14-8-3-9-15-18/h1-15,19-22H,(H,25,26)/t19-,20+,21-,22-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.788 kcal/mol

Physical Properties
Molecular Weight: 372.42 g/mol	logS: -4.79654	SlogP: 4.4902	Reactive groups: 0

Topological Properties
Globularity: 0.190617	Sterimol/B1: 2.38424	Sterimol/B2: 3.27384	Sterimol/B3: 4.91129
Sterimol/B4: 11.5525	Sterimol/L: 14.019

Surface and Volume Properties
Accessible surface: 592.751	Positive charged surface: 294.89	Negative charged surface: 253.12	Volume: 358.75
Hydrophobic surface: 498.066	Hydrophilic surface: 94.685

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00207731
ASINEX-ZINC00885221