MMsINC Database Search


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

MMsINC code: MMs03806966

Type: Neutral
Formula: C₁₉H₁₆O

SMILES:

O(Cc1ccccc1)c1cc(ccc1)-c1ccccc1

InChI:

InChI=1/C19H16O/c1-3-8-16(9-4-1)15-20-19-13-7-12-18(14-19)17-10-5-2-6-11-17/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.4219 kcal/mol

Physical Properties
Molecular Weight: 260.336 g/mol	logS: -5.62954	SlogP: 5.199	Reactive groups: 0

Topological Properties
Globularity: 0.0409941	Sterimol/B1: 3.56699	Sterimol/B2: 3.61717	Sterimol/B3: 3.61849
Sterimol/B4: 6.67831	Sterimol/L: 16.7826

Surface and Volume Properties
Accessible surface: 527.516	Positive charged surface: 268.233	Negative charged surface: 248.469	Volume: 274.375
Hydrophobic surface: 518.139	Hydrophilic surface: 9.377

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.