MMsINC Database Search


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

MMsINC code: MMs03522362

Type: Neutral
Formula: C₁₅H₁₂O

SMILES:

o1c2c(cccc2)c(C)c1-c1ccccc1

InChI:

InChI=1/C15H12O/c1-11-13-9-5-6-10-14(13)16-15(11)12-7-3-2-4-8-12/h2-10H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8776 kcal/mol

Physical Properties
Molecular Weight: 208.26 g/mol	logS: -5.38586	SlogP: 4.40822	Reactive groups: 0

Topological Properties
Globularity: 0.0420882	Sterimol/B1: 2.02461	Sterimol/B2: 2.18678	Sterimol/B3: 3.35444
Sterimol/B4: 6.43249	Sterimol/L: 13.7897

Surface and Volume Properties
Accessible surface: 430.214	Positive charged surface: 235.627	Negative charged surface: 188.941	Volume: 214.125
Hydrophobic surface: 421.588	Hydrophilic surface: 8.626

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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.