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MMsINC code: MMs01782862

Type: Neutral
Formula: C₂₀H₁₆F₂O₅

SMILES:

Fc1cc(F)ccc1COc1cc2OC(=O)C(CCC(O)=O)=C(c2cc1)C

InChI:

InChI=1/C20H16F2O5/c1-11-15-5-4-14(26-10-12-2-3-13(21)8-17(12)22)9-18(15)27-20(25)16(11)6-7-19(23)24/h2-5,8-9H,6-7,10H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5915 kcal/mol

Physical Properties
Molecular Weight: 374.339 g/mol	logS: -5.27891	SlogP: 4.3675	Reactive groups: 0

Topological Properties
Globularity: 0.018461	Sterimol/B1: 2.1925	Sterimol/B2: 2.40905	Sterimol/B3: 3.91125
Sterimol/B4: 6.47362	Sterimol/L: 20.6492

Surface and Volume Properties
Accessible surface: 604.721	Positive charged surface: 306.902	Negative charged surface: 297.82	Volume: 322.125
Hydrophobic surface: 447.612	Hydrophilic surface: 157.109

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01782863
IBS-ZINC02093275