MMsINC Database Search


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MMsINC code: MMs01563822

Type: Neutral
Formula: C₂₃H₂₄FNO₅

SMILES:

Fc1ccccc1C1(CCCC1)C(OCC(=O)NCc1ccc(cc1)C(OC)=O)=O

InChI:

InChI=1/C23H24FNO5/c1-29-21(27)17-10-8-16(9-11-17)14-25-20(26)15-30-22(28)23(12-4-5-13-23)18-6-2-3-7-19(18)24/h2-3,6-11H,4-5,12-15H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.638 kcal/mol

Physical Properties
Molecular Weight: 413.445 g/mol	logS: -5.7772	SlogP: 3.5501	Reactive groups: 0

Topological Properties
Globularity: 0.0333511	Sterimol/B1: 3.19043	Sterimol/B2: 3.85196	Sterimol/B3: 4.33001
Sterimol/B4: 7.0782	Sterimol/L: 20.9762

Surface and Volume Properties
Accessible surface: 707.597	Positive charged surface: 457.973	Negative charged surface: 249.624	Volume: 387.75
Hydrophobic surface: 592.659	Hydrophilic surface: 114.938

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.