MMsINC Database Search


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MMsINC code: MMs00173370

Type: Neutral
Formula: C₁₉H₁₅F₃N₂O₃

SMILES:

FC(F)(F)c1ccccc1NC(=O)Cn1cc(c2c1cccc2)C(OC)=O

InChI:

InChI=1/C19H15F3N2O3/c1-27-18(26)13-10-24(16-9-5-2-6-12(13)16)11-17(25)23-15-8-4-3-7-14(15)19(20,21)22/h2-10H,11H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.3644 kcal/mol

Physical Properties
Molecular Weight: 376.334 g/mol	logS: -5.0035	SlogP: 4.6633	Reactive groups: 0

Topological Properties
Globularity: 0.110453	Sterimol/B1: 2.561	Sterimol/B2: 3.66933	Sterimol/B3: 4.82906
Sterimol/B4: 9.4065	Sterimol/L: 15.9445

Surface and Volume Properties
Accessible surface: 599.547	Positive charged surface: 310.182	Negative charged surface: 283.75	Volume: 322.75
Hydrophobic surface: 432.502	Hydrophilic surface: 167.045

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.