MMsINC Database Search


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MMsINC code: MMs00153824

Type: Neutral
Formula: C₂₄H₃₀O₅

SMILES:

O(C)c1ccc(cc1)C(C1C(=O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

InChI:

InChI=1/C24H30O5/c1-23(2)10-16(25)21(17(26)11-23)20(14-6-8-15(29-5)9-7-14)22-18(27)12-24(3,4)13-19(22)28/h6-9,20-22H,10-13H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.205 kcal/mol

Physical Properties
Molecular Weight: 398.499 g/mol	logS: -4.47299	SlogP: 3.9276	Reactive groups: 0

Topological Properties
Globularity: 0.150147	Sterimol/B1: 3.13215	Sterimol/B2: 4.61905	Sterimol/B3: 5.82219
Sterimol/B4: 7.01303	Sterimol/L: 13.866

Surface and Volume Properties
Accessible surface: 608.494	Positive charged surface: 414.17	Negative charged surface: 194.323	Volume: 385.875
Hydrophobic surface: 459.361	Hydrophilic surface: 149.133

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.