MMsINC Database Search


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MMsINC code: MMs01758448

Type: Neutral
Formula: C₁₉H₁₅F₃O₄

SMILES:

FC(F)(F)C=1Oc2c(ccc(O)c2)C(=O)C=1c1ccc(OC(C)C)cc1

InChI:

InChI=1/C19H15F3O4/c1-10(2)25-13-6-3-11(4-7-13)16-17(24)14-8-5-12(23)9-15(14)26-18(16)19(20,21)22/h3-10,23H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1483 kcal/mol

Physical Properties
Molecular Weight: 364.319 g/mol	logS: -5.98392	SlogP: 5.148	Reactive groups: 1

Topological Properties
Globularity: 0.0391885	Sterimol/B1: 2.55823	Sterimol/B2: 2.92137	Sterimol/B3: 3.91276
Sterimol/B4: 7.00286	Sterimol/L: 17.9275

Surface and Volume Properties
Accessible surface: 573.342	Positive charged surface: 302.947	Negative charged surface: 270.395	Volume: 308.75
Hydrophobic surface: 358.725	Hydrophilic surface: 214.617

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.