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MMsINC code: MMs01069284

Type: Neutral
Formula: C₂₁H₂₆F₂N₄O

SMILES:

Fc1cc(F)ccc1-n1ncc(C(=O)NC2CCCCC2)c1C1CCNCC1

InChI:

InChI=1/C21H26F2N4O/c22-15-6-7-19(18(23)12-15)27-20(14-8-10-24-11-9-14)17(13-25-27)21(28)26-16-4-2-1-3-5-16/h6-7,12-14,16,24H,1-5,8-11H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.9609 kcal/mol

Physical Properties
Molecular Weight: 388.462 g/mol	logS: -4.12785	SlogP: 3.68	Reactive groups: 0

Topological Properties
Globularity: 0.0785042	Sterimol/B1: 2.46776	Sterimol/B2: 4.489	Sterimol/B3: 5.12777
Sterimol/B4: 6.14141	Sterimol/L: 18.1501

Surface and Volume Properties
Accessible surface: 638.545	Positive charged surface: 449.669	Negative charged surface: 188.877	Volume: 364.25
Hydrophobic surface: 578.641	Hydrophilic surface: 59.904

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01069285
CHEMDIV-ZINC07000407