MMsINC Database Search


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MMsINC code: MMs00273105

Type: Neutral
Formula: C₁₉H₁₆F₃NO₃

SMILES:

FC(F)(F)C(=O)c1c2c(n(c1)CCOc1ccc(OC)cc1)cccc2

InChI:

InChI=1/C19H16F3NO3/c1-25-13-6-8-14(9-7-13)26-11-10-23-12-16(18(24)19(20,21)22)15-4-2-3-5-17(15)23/h2-9,12H,10-11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4821 kcal/mol

Physical Properties
Molecular Weight: 363.335 g/mol	logS: -4.85179	SlogP: 5.1602	Reactive groups: 0

Topological Properties
Globularity: 0.121537	Sterimol/B1: 1.969	Sterimol/B2: 5.13055	Sterimol/B3: 6.02103
Sterimol/B4: 6.61264	Sterimol/L: 16.3339

Surface and Volume Properties
Accessible surface: 604.673	Positive charged surface: 312.116	Negative charged surface: 286.353	Volume: 317.5
Hydrophobic surface: 446.763	Hydrophilic surface: 157.91

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.