MMsINC Database Search


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

MMsINC code: MMs02368214

Type: Neutral
Formula: C₁₉H₁₈O₆

SMILES:

O1C2C(c3cc(OC)c(OC)cc3OC2)C(=O)c2c1cc(OC)cc2

InChI:

InChI=1/C19H18O6/c1-21-10-4-5-11-14(6-10)25-17-9-24-13-8-16(23-3)15(22-2)7-12(13)18(17)19(11)20/h4-8,17-18H,9H2,1-3H3/t17-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.372 kcal/mol

Physical Properties
Molecular Weight: 342.347 g/mol	logS: -3.9433	SlogP: 2.8323	Reactive groups: 0

Topological Properties
Globularity: 0.027671	Sterimol/B1: 2.70932	Sterimol/B2: 3.76339	Sterimol/B3: 5.59433
Sterimol/B4: 5.74306	Sterimol/L: 18.4434

Surface and Volume Properties
Accessible surface: 567.238	Positive charged surface: 439.796	Negative charged surface: 127.442	Volume: 309
Hydrophobic surface: 503.085	Hydrophilic surface: 64.153

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 6	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.