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MMsINC code: MMs02119038

Type: Neutral
Formula: C₂₀H₂₄F₂N₂O

SMILES:

Fc1ccccc1N1CCN(CC1)Cc1ccc(OCCCF)cc1

InChI:

InChI=1/C20H24F2N2O/c21-10-3-15-25-18-8-6-17(7-9-18)16-23-11-13-24(14-12-23)20-5-2-1-4-19(20)22/h1-2,4-9H,3,10-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.23 kcal/mol

Physical Properties
Molecular Weight: 346.421 g/mol	logS: -3.99774	SlogP: 4.1527	Reactive groups: 1

Topological Properties
Globularity: 0.0612057	Sterimol/B1: 2.39458	Sterimol/B2: 3.03007	Sterimol/B3: 4.75235
Sterimol/B4: 7.34592	Sterimol/L: 19.6451

Surface and Volume Properties
Accessible surface: 629.465	Positive charged surface: 422.263	Negative charged surface: 207.202	Volume: 337.5
Hydrophobic surface: 567.113	Hydrophilic surface: 62.352

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs02119039
KEYORGANICS-ZINC04050797