MMsINC Database Search


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MMsINC code: MMs02611002

Type: Neutral
Formula: C₁₉H₁₆F₃N₃

SMILES:

FC(F)(F)c1cc(ccc1)-c1nc(nc(NCc2ccccc2)c1)C

InChI:

InChI=1/C19H16F3N3/c1-13-24-17(15-8-5-9-16(10-15)19(20,21)22)11-18(25-13)23-12-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0926 kcal/mol

Physical Properties
Molecular Weight: 343.352 g/mol	logS: -5.60738	SlogP: 5.66082	Reactive groups: 0

Topological Properties
Globularity: 0.0408375	Sterimol/B1: 2.07239	Sterimol/B2: 3.52605	Sterimol/B3: 3.73195
Sterimol/B4: 9.53194	Sterimol/L: 18.0574

Surface and Volume Properties
Accessible surface: 599.371	Positive charged surface: 293.303	Negative charged surface: 300.675	Volume: 313.625
Hydrophobic surface: 428.757	Hydrophilic surface: 170.614

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.