MMsINC Database Search


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MMsINC code: MMs01448106

Type: Neutral
Formula: C₂₀H₁₆F₃NO₃

SMILES:

FC(F)(F)c1cc(ccc1)-c1oc(cc1)C(=O)NCc1cc(OC)ccc1

InChI:

InChI=1/C20H16F3NO3/c1-26-16-7-2-4-13(10-16)12-24-19(25)18-9-8-17(27-18)14-5-3-6-15(11-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8491 kcal/mol

Physical Properties
Molecular Weight: 375.346 g/mol	logS: -6.55259	SlogP: 5.4819	Reactive groups: 0

Topological Properties
Globularity: 0.0553986	Sterimol/B1: 2.42147	Sterimol/B2: 3.52206	Sterimol/B3: 5.64498
Sterimol/B4: 8.4711	Sterimol/L: 17.0002

Surface and Volume Properties
Accessible surface: 638.213	Positive charged surface: 334.138	Negative charged surface: 304.074	Volume: 331.625
Hydrophobic surface: 467.132	Hydrophilic surface: 171.081

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

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Ions/Tautomers related molecules: no related molecules available.