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MMsINC code: MMs00779482

Type: Neutral
Formula: C₂₄H₃₂FN₃O

SMILES:

Fc1ccccc1N1CCN(CC1)C1CCN(CC1)Cc1ccccc1OCC

InChI:

InChI=1/C24H32FN3O/c1-2-29-24-10-6-3-7-20(24)19-26-13-11-21(12-14-26)27-15-17-28(18-16-27)23-9-5-4-8-22(23)25/h3-10,21H,2,11-19H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.451 kcal/mol

Physical Properties
Molecular Weight: 397.538 g/mol	logS: -4.24976	SlogP: 4.2774	Reactive groups: 0

Topological Properties
Globularity: 0.117307	Sterimol/B1: 2.50278	Sterimol/B2: 3.43391	Sterimol/B3: 6.23928
Sterimol/B4: 8.06649	Sterimol/L: 18.3568

Surface and Volume Properties
Accessible surface: 695.05	Positive charged surface: 502.389	Negative charged surface: 192.661	Volume: 404
Hydrophobic surface: 653.82	Hydrophilic surface: 41.23

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

MMs00779483
CHEMBRIDGE-ZINC04712138