MMsINC Database Search


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MMsINC code: MMs01685518

Type: Neutral
Formula: C₁₉H₁₅F₃N₄O₂

SMILES:

Fc1c(F)c(F)ccc1NC(=O)CN(C(=O)c1ccc(-n2nccc2)cc1)C

InChI:

InChI=1/C19H15F3N4O2/c1-25(11-16(27)24-15-8-7-14(20)17(21)18(15)22)19(28)12-3-5-13(6-4-12)26-10-2-9-23-26/h2-10H,11H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.84 kcal/mol

Physical Properties
Molecular Weight: 388.349 g/mol	logS: -4.4603	SlogP: 3.0003	Reactive groups: 0

Topological Properties
Globularity: 0.0298612	Sterimol/B1: 2.22711	Sterimol/B2: 2.47323	Sterimol/B3: 4.83005
Sterimol/B4: 6.75535	Sterimol/L: 20.1251

Surface and Volume Properties
Accessible surface: 614.201	Positive charged surface: 333.732	Negative charged surface: 280.469	Volume: 333.5
Hydrophobic surface: 511.631	Hydrophilic surface: 102.57

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.