MMsINC Database Search


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

MMsINC code: MMs02443612

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

O1C(C1c1ccccc1)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C20H16O/c1-4-10-16(11-5-1)19-20(21-19,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.3828 kcal/mol

Physical Properties
Molecular Weight: 272.347 g/mol	logS: -5.18572	SlogP: 5.1087	Reactive groups: 1

Topological Properties
Globularity: 0.184231	Sterimol/B1: 2.73503	Sterimol/B2: 4.00371	Sterimol/B3: 4.26359
Sterimol/B4: 6.97997	Sterimol/L: 14.1218

Surface and Volume Properties
Accessible surface: 504.45	Positive charged surface: 282.606	Negative charged surface: 221.844	Volume: 284.75
Hydrophobic surface: 489.287	Hydrophilic surface: 15.163

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.