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MMsINC code: MMs00782871

Type: Neutral
Formula: C₂₀H₂₁FN₄O

SMILES:

Fc1ccccc1N1CCN(CC1)Cc1onc(n1)-c1cc(ccc1)C

InChI:

InChI=1/C20H21FN4O/c1-15-5-4-6-16(13-15)20-22-19(26-23-20)14-24-9-11-25(12-10-24)18-8-3-2-7-17(18)21/h2-8,13H,9-12,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.583 kcal/mol

Physical Properties
Molecular Weight: 352.413 g/mol	logS: -5.69467	SlogP: 3.77272	Reactive groups: 0

Topological Properties
Globularity: 0.0702965	Sterimol/B1: 2.38824	Sterimol/B2: 3.36762	Sterimol/B3: 5.83134
Sterimol/B4: 6.24291	Sterimol/L: 18.9322

Surface and Volume Properties
Accessible surface: 632.028	Positive charged surface: 393.932	Negative charged surface: 238.096	Volume: 338.5
Hydrophobic surface: 566.348	Hydrophilic surface: 65.68

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00782872
CHEMBRIDGE-ZINC04747700