MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02225363

Type: Neutral
Formula: C₂₄H₂₄O₂

SMILES:

O(Cc1ccccc1)c1c(cccc1OCc1ccccc1)/C(=C\C)/C

InChI:

InChI=1/C24H24O2/c1-3-19(2)22-15-10-16-23(25-17-20-11-6-4-7-12-20)24(22)26-18-21-13-8-5-9-14-21/h3-16H,17-18H2,1-2H3/b19-3-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.857 kcal/mol

Physical Properties
Molecular Weight: 344.454 g/mol	logS: -6.46548	SlogP: 6.8006	Reactive groups: 0

Topological Properties
Globularity: 0.121296	Sterimol/B1: 2.21059	Sterimol/B2: 5.05003	Sterimol/B3: 6.0022
Sterimol/B4: 9.0951	Sterimol/L: 15.0643

Surface and Volume Properties
Accessible surface: 639.614	Positive charged surface: 375.011	Negative charged surface: 264.603	Volume: 367.5
Hydrophobic surface: 617.31	Hydrophilic surface: 22.304

Pharmacophoric Properties
Hydrogen bond donors: 0	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.