MMsINC Database Search


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

MMsINC code: MMs00829716

Type: Neutral
Formula: C₁₅H₁₀O₄

SMILES:

o1c2c(cc(O)cc2)c(C(O)=O)c1-c1ccccc1

InChI:

InChI=1/C15H10O4/c16-10-6-7-12-11(8-10)13(15(17)18)14(19-12)9-4-2-1-3-5-9/h1-8,16H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0166 kcal/mol

Physical Properties
Molecular Weight: 254.241 g/mol	logS: -4.83284	SlogP: 3.5036	Reactive groups: 0

Topological Properties
Globularity: 0.0134428	Sterimol/B1: 2.85513	Sterimol/B2: 2.88536	Sterimol/B3: 4.04381
Sterimol/B4: 5.47645	Sterimol/L: 14.3869

Surface and Volume Properties
Accessible surface: 460.049	Positive charged surface: 234.126	Negative charged surface: 220.171	Volume: 228.75
Hydrophobic surface: 320.809	Hydrophilic surface: 139.24

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00829717
CHEMDIV-ZINC00041691