MMsINC Database Search


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MMsINC code: MMs00860852

Type: Neutral
Formula: C₂₂H₂₃FN₂O₄

SMILES:

Fc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1ccc(cc1)C(OCC)=O

InChI:

InChI=1/C22H23FN2O4/c1-2-29-22(28)17-5-9-19(10-6-17)24-20(26)15-11-13-25(14-12-15)21(27)16-3-7-18(23)8-4-16/h3-10,15H,2,11-14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.458 kcal/mol

Physical Properties
Molecular Weight: 398.434 g/mol	logS: -4.73423	SlogP: 3.4933	Reactive groups: 0

Topological Properties
Globularity: 0.052778	Sterimol/B1: 3.32757	Sterimol/B2: 4.49578	Sterimol/B3: 4.63441
Sterimol/B4: 5.94186	Sterimol/L: 20.9423

Surface and Volume Properties
Accessible surface: 692.78	Positive charged surface: 431.257	Negative charged surface: 261.524	Volume: 373.625
Hydrophobic surface: 564.414	Hydrophilic surface: 128.366

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: no related molecules available.