MMsINC Database Search


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MMsINC code: MMs00893507

Type: Neutral
Formula: C₂₃H₂₃FN₂O₄

SMILES:

Fc1ccc(cc1)-c1n(CC(=O)Nc2ccc(OC)cc2)c(C)c(c1)C(OCC)=O

InChI:

InChI=1/C23H23FN2O4/c1-4-30-23(28)20-13-21(16-5-7-17(24)8-6-16)26(15(20)2)14-22(27)25-18-9-11-19(29-3)12-10-18/h5-13H,4,14H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.364 kcal/mol

Physical Properties
Molecular Weight: 410.445 g/mol	logS: -5.48141	SlogP: 4.69302	Reactive groups: 0

Topological Properties
Globularity: 0.082632	Sterimol/B1: 2.45864	Sterimol/B2: 2.90946	Sterimol/B3: 6.11755
Sterimol/B4: 9.65569	Sterimol/L: 19.5912

Surface and Volume Properties
Accessible surface: 702.223	Positive charged surface: 442.378	Negative charged surface: 259.845	Volume: 387.5
Hydrophobic surface: 600.135	Hydrophilic surface: 102.088

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.