MMsINC Database Search


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

MMsINC code: MMs02741801

Type: Neutral
Formula: C₁₃H₁₀O₂

SMILES:

Oc1c-2c(Cc3c-2cccc3)ccc1O

InChI:

InChI=1/C13H10O2/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15/h1-6,14-15H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3273 kcal/mol

Physical Properties
Molecular Weight: 198.221 g/mol	logS: -3.55824	SlogP: 2.66897	Reactive groups: 0

Topological Properties
Globularity: 0.0152572	Sterimol/B1: 2.30657	Sterimol/B2: 2.44795	Sterimol/B3: 3.95125
Sterimol/B4: 4.42953	Sterimol/L: 11.979

Surface and Volume Properties
Accessible surface: 389.07	Positive charged surface: 227.982	Negative charged surface: 149.974	Volume: 192.625
Hydrophobic surface: 304.215	Hydrophilic surface: 84.855

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.