MMsINC Database Search


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

MMsINC code: MMs02214381

Type: Neutral
Formula: C₁₂H₁₀O₂

SMILES:

OC1c2c3c(cccc3ccc2)C1O

InChI:

InChI=1/C12H10O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11-14H/t11-,12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.4433 kcal/mol

Physical Properties
Molecular Weight: 186.21 g/mol	logS: -2.95364	SlogP: 2.1112	Reactive groups: 0

Topological Properties
Globularity: 0.0714369	Sterimol/B1: 2.43933	Sterimol/B2: 2.67189	Sterimol/B3: 3.03375
Sterimol/B4: 7.18745	Sterimol/L: 9.2664

Surface and Volume Properties
Accessible surface: 366.359	Positive charged surface: 205.183	Negative charged surface: 150.105	Volume: 176.625
Hydrophobic surface: 273.294	Hydrophilic surface: 93.065

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