MMsINC Database Search


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MMsINC code: MMs03221576

Type: Neutral
Formula: C₂₄H₃₀O₃

SMILES:

O(C)c1ccc(cc1)\C=C\C(=O)c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C

InChI:

InChI=1/C24H30O3/c1-23(2,3)19-14-17(15-20(22(19)26)24(4,5)6)21(25)13-10-16-8-11-18(27-7)12-9-16/h8-15,26H,1-7H3/b13-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.197 kcal/mol

Physical Properties
Molecular Weight: 366.501 g/mol	logS: -7.0642	SlogP: 5.8919	Reactive groups: 1

Topological Properties
Globularity: 0.0383349	Sterimol/B1: 2.16705	Sterimol/B2: 3.61284	Sterimol/B3: 3.64702
Sterimol/B4: 8.69561	Sterimol/L: 18.3771

Surface and Volume Properties
Accessible surface: 666.528	Positive charged surface: 424.224	Negative charged surface: 242.304	Volume: 386.375
Hydrophobic surface: 510.311	Hydrophilic surface: 156.217

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.