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MMsINC code: MMs00973712

Type: Neutral
Formula: C₂₀H₂₄FN₃O

SMILES:

Fc1ccccc1N1CCN(CC1)CC(O)c1cc2CCNc2cc1

InChI:

InChI=1/C20H24FN3O/c21-17-3-1-2-4-19(17)24-11-9-23(10-12-24)14-20(25)16-5-6-18-15(13-16)7-8-22-18/h1-6,13,20,22,25H,7-12,14H2/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=174.332 kcal/mol

Physical Properties
Molecular Weight: 341.43 g/mol	logS: -3.19969	SlogP: 2.74477	Reactive groups: 0

Topological Properties
Globularity: 0.0407374	Sterimol/B1: 2.31726	Sterimol/B2: 3.47598	Sterimol/B3: 4.51729
Sterimol/B4: 4.70772	Sterimol/L: 19.5977

Surface and Volume Properties
Accessible surface: 613.869	Positive charged surface: 433.071	Negative charged surface: 180.799	Volume: 333.125
Hydrophobic surface: 522.099	Hydrophilic surface: 91.77

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00973713
CHEMDIV-ZINC04959177