MMsINC Database Search


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

MMsINC code: MMs00598873

Type: Neutral
Formula: C₂₃H₁₈O₃

SMILES:

O(C(C(=O)c1ccccc1)c1ccccc1)C(=O)\C=C\c1ccccc1

InChI:

InChI=1/C23H18O3/c24-21(17-16-18-10-4-1-5-11-18)26-23(20-14-8-3-9-15-20)22(25)19-12-6-2-7-13-19/h1-17,23H/b17-16+/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8098 kcal/mol

Physical Properties
Molecular Weight: 342.394 g/mol	logS: -6.13958	SlogP: 4.9627	Reactive groups: 0

Topological Properties
Globularity: 0.0906525	Sterimol/B1: 3.45247	Sterimol/B2: 3.85376	Sterimol/B3: 4.24855
Sterimol/B4: 7.11647	Sterimol/L: 18.4696

Surface and Volume Properties
Accessible surface: 634.649	Positive charged surface: 315.003	Negative charged surface: 319.647	Volume: 341.625
Hydrophobic surface: 573.776	Hydrophilic surface: 60.873

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.