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MMsINC code: MMs01306033

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(N1CCOCC1)c1ccccc1)C

InChI:

InChI=1/C20H23FN2O2/c1-15(22-20(24)17-9-5-6-10-18(17)21)19(16-7-3-2-4-8-16)23-11-13-25-14-12-23/h2-10,15,19H,11-14H2,1H3,(H,22,24)/t15-,19+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.02 kcal/mol

Physical Properties
Molecular Weight: 342.414 g/mol	logS: -4.11047	SlogP: 3.113	Reactive groups: 0

Topological Properties
Globularity: 0.0926018	Sterimol/B1: 2.05124	Sterimol/B2: 3.90883	Sterimol/B3: 5.26884
Sterimol/B4: 7.41715	Sterimol/L: 15.8096

Surface and Volume Properties
Accessible surface: 576.493	Positive charged surface: 374.141	Negative charged surface: 202.352	Volume: 333.875
Hydrophobic surface: 517.526	Hydrophilic surface: 58.967

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs01306034
ENAMINE-ZINC03206172