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MMsINC code: MMs00579861

Type: Neutral
Formula: C₂₃H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)C1CCN(CC1)C1CC(=O)N(CCc2ccccc2)C1=O

InChI:

InChI=1/C23H25FN2O2/c24-20-8-6-18(7-9-20)19-11-13-25(14-12-19)21-16-22(27)26(23(21)28)15-10-17-4-2-1-3-5-17/h1-9,19,21H,10-16H2/t21-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1743 kcal/mol

Physical Properties
Molecular Weight: 380.463 g/mol	logS: -4.35374	SlogP: 3.37527	Reactive groups: 0

Topological Properties
Globularity: 0.0755084	Sterimol/B1: 3.02174	Sterimol/B2: 3.51932	Sterimol/B3: 3.80928
Sterimol/B4: 8.35854	Sterimol/L: 18.6274

Surface and Volume Properties
Accessible surface: 644.17	Positive charged surface: 380.804	Negative charged surface: 263.366	Volume: 372.75
Hydrophobic surface: 578.416	Hydrophilic surface: 65.754

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00579862
CHEMBLOCK-ZINC04784477