MMsINC Database Search


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MMsINC code: MMs03418803

Type: Neutral
Formula: C₂₄H₃₀O₄

SMILES:

Oc1cc(O)c(CC=C(C)C)c(CCc2cc(O)c(O)cc2)c1CC=C(C)C

InChI:

InChI=1/C24H30O4/c1-15(2)5-9-19-18(11-7-17-8-12-21(25)24(28)13-17)20(10-6-16(3)4)23(27)14-22(19)26/h5-6,8,12-14,25-28H,7,9-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.998 kcal/mol

Physical Properties
Molecular Weight: 382.5 g/mol	logS: -6.0663	SlogP: 5.31148	Reactive groups: 0

Topological Properties
Globularity: 0.200664	Sterimol/B1: 3.79659	Sterimol/B2: 4.65174	Sterimol/B3: 4.89781
Sterimol/B4: 9.54255	Sterimol/L: 14.5599

Surface and Volume Properties
Accessible surface: 683.228	Positive charged surface: 440.145	Negative charged surface: 243.083	Volume: 395.5
Hydrophobic surface: 507.922	Hydrophilic surface: 175.306

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.