MMsINC Database Search


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

MMsINC code: MMs00049806

Type: Neutral
Formula: C₁₁H₁₀O

SMILES:

Oc1c2cc(ccc2ccc1)C

InChI:

InChI=1/C11H10O/c1-8-5-6-9-3-2-4-11(12)10(9)7-8/h2-7,12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.171 kcal/mol

Physical Properties
Molecular Weight: 158.2 g/mol	logS: -3.37473	SlogP: 2.85382	Reactive groups: 0

Topological Properties
Globularity: 0.016955	Sterimol/B1: 2.18797	Sterimol/B2: 2.51369	Sterimol/B3: 3.87711
Sterimol/B4: 4.94849	Sterimol/L: 10.9878

Surface and Volume Properties
Accessible surface: 355.245	Positive charged surface: 196.895	Negative charged surface: 147.729	Volume: 164.75
Hydrophobic surface: 310.265	Hydrophilic surface: 44.98

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.