MMsINC Database Search


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

MMsINC code: MMs03547156

Type: Neutral
Formula: C₂₄H₁₆O₂

SMILES:

OC1c2c3c4c(cccc4c4c(c3c3c(c2)cccc3)cccc4)C1O

InChI:

InChI=1/C24H16O2/c25-23-18-11-5-10-17-15-8-3-4-9-16(15)20-14-7-2-1-6-13(14)12-19(24(23)26)22(20)21(17)18/h1-12,23-26H/t23-,24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=150.296 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -8.58728	SlogP: 5.5708	Reactive groups: 0

Topological Properties
Globularity: 0.054467	Sterimol/B1: 3.41633	Sterimol/B2: 3.47076	Sterimol/B3: 3.75157
Sterimol/B4: 8.83329	Sterimol/L: 13.5993

Surface and Volume Properties
Accessible surface: 534.31	Positive charged surface: 272.363	Negative charged surface: 222.669	Volume: 320.25
Hydrophobic surface: 445.16	Hydrophilic surface: 89.15

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

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.