MMsINC Database Search


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MMsINC code: MMs03221194

Type: Neutral
Formula: C₂₄H₃₀O₂

SMILES:

OC1CC(c2c(cc(cc2)/C(=C/c2ccc(cc2)CO)/C)C1(C)C)(C)C

InChI:

InChI=1/C24H30O2/c1-16(12-17-6-8-18(15-25)9-7-17)19-10-11-20-21(13-19)24(4,5)22(26)14-23(20,2)3/h6-13,22,25-26H,14-15H2,1-5H3/b16-12-/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.196 kcal/mol

Physical Properties
Molecular Weight: 350.502 g/mol	logS: -6.01259	SlogP: 5.3256	Reactive groups: 0

Topological Properties
Globularity: 0.246784	Sterimol/B1: 2.10852	Sterimol/B2: 4.12137	Sterimol/B3: 5.34191
Sterimol/B4: 9.40217	Sterimol/L: 13.1382

Surface and Volume Properties
Accessible surface: 595.389	Positive charged surface: 406.562	Negative charged surface: 188.827	Volume: 369.75
Hydrophobic surface: 446.191	Hydrophilic surface: 149.198

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.