MMsINC Database Search


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MMsINC code: MMs03461447

Type: Neutral
Formula: C₂₄H₃₄O₂

SMILES:

Oc1c(cc(cc1C(C)(C)C)C)C(C)c1cc(cc(C(C)(C)C)c1O)C

InChI:

InChI=1/C24H34O2/c1-14-10-17(21(25)19(12-14)23(4,5)6)16(3)18-11-15(2)13-20(22(18)26)24(7,8)9/h10-13,16,25-26H,1-9H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.961 kcal/mol

Physical Properties
Molecular Weight: 354.534 g/mol	logS: -7.33923	SlogP: 6.46144	Reactive groups: 0

Topological Properties
Globularity: 0.159218	Sterimol/B1: 2.26702	Sterimol/B2: 2.80556	Sterimol/B3: 5.93944
Sterimol/B4: 8.2618	Sterimol/L: 14.8764

Surface and Volume Properties
Accessible surface: 639.174	Positive charged surface: 431.626	Negative charged surface: 207.547	Volume: 388.5
Hydrophobic surface: 491.036	Hydrophilic surface: 148.138

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.