MMsINC Database Search


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MMsINC code: MMs01632492

Type: Neutral
Formula: C₁₆H₁₄F₃NO₃

SMILES:

FC(F)(F)Oc1ccc(cc1)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C16H14F3NO3/c1-22-13-6-2-11(3-7-13)10-20-15(21)12-4-8-14(9-5-12)23-16(17,18)19/h2-9H,10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.048 kcal/mol

Physical Properties
Molecular Weight: 325.286 g/mol	logS: -4.53862	SlogP: 4.2101	Reactive groups: 0

Topological Properties
Globularity: 0.0508465	Sterimol/B1: 2.58317	Sterimol/B2: 2.95577	Sterimol/B3: 4.5643
Sterimol/B4: 6.81757	Sterimol/L: 17.1175

Surface and Volume Properties
Accessible surface: 555.268	Positive charged surface: 290.47	Negative charged surface: 264.798	Volume: 277.625
Hydrophobic surface: 382.869	Hydrophilic surface: 172.399

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.