MMsINC Database Search


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

MMsINC code: MMs00053931

Type: Neutral
Formula: C₂₄H₁₆O₂

SMILES:

O(C(=O)C)c1cc2c(c3c(cc4c5c(ccc4c3)cccc5)cc2)cc1

InChI:

InChI=1/C24H16O2/c1-15(25)26-20-10-11-22-17(12-20)8-9-19-13-23-18(14-24(19)22)7-6-16-4-2-3-5-21(16)23/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.118 kcal/mol

Physical Properties
Molecular Weight: 336.39 g/mol	logS: -9.24992	SlogP: 6.2247	Reactive groups: 0

Topological Properties
Globularity: 0.00895927	Sterimol/B1: 2.74035	Sterimol/B2: 3.12218	Sterimol/B3: 4.42194
Sterimol/B4: 5.296	Sterimol/L: 19.3152

Surface and Volume Properties
Accessible surface: 584.532	Positive charged surface: 280.36	Negative charged surface: 262.543	Volume: 330.75
Hydrophobic surface: 541.339	Hydrophilic surface: 43.193

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.