MMsINC Database Search


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

MMsINC code: MMs00465741

Type: Neutral
Formula: C₁₈H₁₆O

SMILES:

OC(C)(c1cc2c(cc1)cccc2)c1ccccc1

InChI:

InChI=1/C18H16O/c1-18(19,16-9-3-2-4-10-16)17-12-11-14-7-5-6-8-15(14)13-17/h2-13,19H,1H3/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0699 kcal/mol

Physical Properties
Molecular Weight: 248.325 g/mol	logS: -5.12889	SlogP: 4.4071	Reactive groups: 0

Topological Properties
Globularity: 0.187438	Sterimol/B1: 2.27406	Sterimol/B2: 3.92968	Sterimol/B3: 4.4
Sterimol/B4: 6.58394	Sterimol/L: 13.6264

Surface and Volume Properties
Accessible surface: 477.059	Positive charged surface: 249.878	Negative charged surface: 216.206	Volume: 259.5
Hydrophobic surface: 434.44	Hydrophilic surface: 42.619

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.