MMsINC Database Search


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MMsINC code: MMs01668539

Type: Neutral
Formula: C₂₀H₁₇FO₅

SMILES:

Fc1cc(ccc1OC)C(OCC1=CC(Oc2c1cc(C)c(c2)C)=O)=O

InChI:

InChI=1/C20H17FO5/c1-11-6-15-14(9-19(22)26-18(15)7-12(11)2)10-25-20(23)13-4-5-17(24-3)16(21)8-13/h4-9H,10H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.068 kcal/mol

Physical Properties
Molecular Weight: 356.349 g/mol	logS: -6.24986	SlogP: 3.61054	Reactive groups: 0

Topological Properties
Globularity: 0.00584774	Sterimol/B1: 2.16304	Sterimol/B2: 2.37863	Sterimol/B3: 2.51186
Sterimol/B4: 8.30014	Sterimol/L: 19.7894

Surface and Volume Properties
Accessible surface: 601.232	Positive charged surface: 343.644	Negative charged surface: 257.589	Volume: 324.25
Hydrophobic surface: 484.317	Hydrophilic surface: 116.915

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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: no related molecules available.