MMsINC Database Search


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MMsINC code: MMs01736749

Type: Neutral
Formula: C₁₅H₁₀F₄O₅

SMILES:

FC(F)(C(F)F)C=1Oc2c(C(=O)C=1)c(OC)c1c(occ1)c2OC

InChI:

InChI=1/C15H10F4O5/c1-21-10-6-3-4-23-11(6)13(22-2)12-9(10)7(20)5-8(24-12)15(18,19)14(16)17/h3-5,14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0287 kcal/mol

Physical Properties
Molecular Weight: 346.232 g/mol	logS: -5.55813	SlogP: 4.6492	Reactive groups: 1

Topological Properties
Globularity: 0.0761558	Sterimol/B1: 2.05933	Sterimol/B2: 2.48846	Sterimol/B3: 3.76102
Sterimol/B4: 8.8052	Sterimol/L: 13.999

Surface and Volume Properties
Accessible surface: 508.827	Positive charged surface: 263.117	Negative charged surface: 240.473	Volume: 264.75
Hydrophobic surface: 317.299	Hydrophilic surface: 191.528

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.