MMsINC Database Search


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

MMsINC code: MMs02286923

Type: Ionized
Formula: C₂₆H₁₉O₃-

SMILES:

OC(C(=O)[O-])(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H20O3/c27-25(28)26(29,23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,29H,(H,27,28)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.863 kcal/mol

Physical Properties
Molecular Weight: 379.435 g/mol	logS: -8.03285	SlogP: 4.3179	Reactive groups: 0

Topological Properties
Globularity: 0.0867538	Sterimol/B1: 2.16662	Sterimol/B2: 3.53718	Sterimol/B3: 3.95605
Sterimol/B4: 9.01902	Sterimol/L: 19.0934

Surface and Volume Properties
Accessible surface: 658.754	Positive charged surface: 331.531	Negative charged surface: 316.694	Volume: 383.125
Hydrophobic surface: 567.738	Hydrophilic surface: 91.016

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

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:

Parent related molecule:

MMs02286922
NCID-ZINC01646281