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MMsINC code: MMs00415721

Type: Neutral
Formula: C₂₁H₂₃FN₂O₂

SMILES:

Fc1ccccc1CNC(=O)CN1CCC(CC1)C(=O)c1ccccc1

InChI:

InChI=1/C21H23FN2O2/c22-19-9-5-4-8-18(19)14-23-20(25)15-24-12-10-17(11-13-24)21(26)16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0571 kcal/mol

Physical Properties
Molecular Weight: 354.425 g/mol	logS: -4.13199	SlogP: 3.3032	Reactive groups: 0

Topological Properties
Globularity: 0.038863	Sterimol/B1: 2.62597	Sterimol/B2: 3.36774	Sterimol/B3: 3.75055
Sterimol/B4: 6.25303	Sterimol/L: 20.8331

Surface and Volume Properties
Accessible surface: 636.264	Positive charged surface: 397.739	Negative charged surface: 238.525	Volume: 347.375
Hydrophobic surface: 563.838	Hydrophilic surface: 72.426

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00415722
ASINEX-ZINC04966906