MMsINC Database Search


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

MMsINC code: MMs02335326

Type: Neutral
Formula: C₁₄H₁₀O₄

SMILES:

Oc1c2c(c(O)c3c1cccc3)c(O)ccc2O

InChI:

InChI=1/C14H10O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6925 kcal/mol

Physical Properties
Molecular Weight: 242.23 g/mol	logS: -3.69284	SlogP: 2.8154	Reactive groups: 0

Topological Properties
Globularity: 0.0130308	Sterimol/B1: 2.26077	Sterimol/B2: 2.27176	Sterimol/B3: 3.8647
Sterimol/B4: 5.27459	Sterimol/L: 12.0654

Surface and Volume Properties
Accessible surface: 418.682	Positive charged surface: 238.712	Negative charged surface: 157.827	Volume: 215.125
Hydrophobic surface: 272.578	Hydrophilic surface: 146.104

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.