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MMsINC code: MMs02671963

Type: Neutral
Formula: C₂₀H₂₀O₄

SMILES:

O(C(=O)c1ccccc1C(O)=O)C1CCCCC1c1ccccc1

InChI:

InChI=1/C20H20O4/c21-19(22)16-11-4-5-12-17(16)20(23)24-18-13-7-6-10-15(18)14-8-2-1-3-9-14/h1-5,8-9,11-12,15,18H,6-7,10,13H2,(H,21,22)/t15-,18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.5528 kcal/mol

Physical Properties
Molecular Weight: 324.376 g/mol	logS: -4.70931	SlogP: 4.268	Reactive groups: 0

Topological Properties
Globularity: 0.144665	Sterimol/B1: 2.54644	Sterimol/B2: 3.29836	Sterimol/B3: 4.49731
Sterimol/B4: 8.99146	Sterimol/L: 13.4098

Surface and Volume Properties
Accessible surface: 539.497	Positive charged surface: 329.889	Negative charged surface: 209.607	Volume: 314.25
Hydrophobic surface: 443.6	Hydrophilic surface: 95.897

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

MMs02671964
PUBCHEM-ZINC00391522