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MMsINC code: MMs02626624

Type: Neutral
Formula: C₂₀H₂₄F₂N₂O

SMILES:

Fc1ccc(cc1)C(OCCN1CCN(CC1)C)c1ccc(F)cc1

InChI:

InChI=1/C20H24F2N2O/c1-23-10-12-24(13-11-23)14-15-25-20(16-2-6-18(21)7-3-16)17-4-8-19(22)9-5-17/h2-9,20H,10-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.952 kcal/mol

Physical Properties
Molecular Weight: 346.421 g/mol	logS: -3.80356	SlogP: 3.4137	Reactive groups: 0

Topological Properties
Globularity: 0.135474	Sterimol/B1: 3.66527	Sterimol/B2: 3.96155	Sterimol/B3: 5.41453
Sterimol/B4: 6.00272	Sterimol/L: 15.9869

Surface and Volume Properties
Accessible surface: 622.633	Positive charged surface: 436.54	Negative charged surface: 186.093	Volume: 341.375
Hydrophobic surface: 620.155	Hydrophilic surface: 2.4780000000001

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

MMs02626625
PUBCHEM-ZINC00015721