MMsINC Database Search


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

MMsINC code: MMs02220398

Type: Neutral
Formula: C₂₀H₁₆O

SMILES:

O(C)c1c2c(ccc3c2cccc3)c(c2c1cccc2)C

InChI:

InChI=1/C20H16O/c1-13-15-8-5-6-10-18(15)20(21-2)19-16(13)12-11-14-7-3-4-9-17(14)19/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.217 kcal/mol

Physical Properties
Molecular Weight: 272.347 g/mol	logS: -7.54282	SlogP: 5.46322	Reactive groups: 0

Topological Properties
Globularity: 0.0253511	Sterimol/B1: 2.1195	Sterimol/B2: 2.60976	Sterimol/B3: 2.73457
Sterimol/B4: 8.32886	Sterimol/L: 14.3112

Surface and Volume Properties
Accessible surface: 476.829	Positive charged surface: 266.848	Negative charged surface: 179.728	Volume: 277
Hydrophobic surface: 471.951	Hydrophilic surface: 4.878

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.