MMsINC Database Search


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MMsINC code: MMs03277297

Type: Neutral
Formula: C₂₃H₂₇FO₅

SMILES:

Fc1cc(O)c(cc1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

InChI:

InChI=1/C23H27FO5/c1-22(2)8-15(26)20(16(27)9-22)19(13-6-5-12(24)7-14(13)25)21-17(28)10-23(3,4)11-18(21)29/h5-7,19-21,25H,8-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.639 kcal/mol

Physical Properties
Molecular Weight: 402.462 g/mol	logS: -4.35564	SlogP: 3.7637	Reactive groups: 0

Topological Properties
Globularity: 0.190575	Sterimol/B1: 2.79489	Sterimol/B2: 3.84948	Sterimol/B3: 4.09842
Sterimol/B4: 9.40481	Sterimol/L: 14.159

Surface and Volume Properties
Accessible surface: 595.76	Positive charged surface: 359.121	Negative charged surface: 236.64	Volume: 373.125
Hydrophobic surface: 429.921	Hydrophilic surface: 165.839

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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

MMs03277298
PUBCHEM-ZINC05464811