MMsINC Database Search


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

MMsINC code: MMs03426749

Type: Neutral
Formula: C₁₀H₁₀O₄

SMILES:

O1Cc2c(C1=O)c(O)cc(OC)c2C

InChI:

InChI=1/C10H10O4/c1-5-6-4-14-10(12)9(6)7(11)3-8(5)13-2/h3,11H,4H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.2293 kcal/mol

Physical Properties
Molecular Weight: 194.186 g/mol	logS: -1.73791	SlogP: 1.64602	Reactive groups: 0

Topological Properties
Globularity: 0.0425219	Sterimol/B1: 1.969	Sterimol/B2: 2.34049	Sterimol/B3: 2.49575
Sterimol/B4: 7.40083	Sterimol/L: 11.213

Surface and Volume Properties
Accessible surface: 373.338	Positive charged surface: 263.56	Negative charged surface: 109.778	Volume: 174.75
Hydrophobic surface: 243.379	Hydrophilic surface: 129.959

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.