MMsINC Database Search


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MMsINC code: MMs00013608

Type: Neutral
Formula: C₉H₇F₃O₃

SMILES:

FC(F)(F)Oc1cc(ccc1)C(OC)=O

InChI:

InChI=1/C9H7F3O3/c1-14-8(13)6-3-2-4-7(5-6)15-9(10,11)12/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.9099 kcal/mol

Physical Properties
Molecular Weight: 220.146 g/mol	logS: -2.95594	SlogP: 2.7917	Reactive groups: 0

Topological Properties
Globularity: 0.0198692	Sterimol/B1: 2.6382	Sterimol/B2: 2.63846	Sterimol/B3: 3.24702
Sterimol/B4: 4.58699	Sterimol/L: 13.1468

Surface and Volume Properties
Accessible surface: 385.016	Positive charged surface: 189.485	Negative charged surface: 195.531	Volume: 169
Hydrophobic surface: 226.77	Hydrophilic surface: 158.246

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.