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MMsINC code: MMs02050020

Type: Neutral
Formula: C₁₇H₁₅F₂N₅O

SMILES:

Fc1cc(ccc1F)C(=O)NCc1nnnn1-c1cc(C)c(cc1)C

InChI:

InChI=1/C17H15F2N5O/c1-10-3-5-13(7-11(10)2)24-16(21-22-23-24)9-20-17(25)12-4-6-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.2578 kcal/mol

Physical Properties
Molecular Weight: 343.337 g/mol	logS: -4.33698	SlogP: 2.75374	Reactive groups: 0

Topological Properties
Globularity: 0.0887056	Sterimol/B1: 2.22953	Sterimol/B2: 3.95	Sterimol/B3: 4.65297
Sterimol/B4: 9.02445	Sterimol/L: 15.47

Surface and Volume Properties
Accessible surface: 570.427	Positive charged surface: 251.9	Negative charged surface: 284.174	Volume: 302.75
Hydrophobic surface: 479.891	Hydrophilic surface: 90.536

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.