MMsINC Database Search


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

MMsINC code: MMs02336024

Type: Neutral
Formula: C₂₁H₁₆O

SMILES:

o1c2c(ccc(c2)C)c(c1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C21H16O/c1-15-12-13-18-19(14-15)22-21(17-10-6-3-7-11-17)20(18)16-8-4-2-5-9-16/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9526 kcal/mol

Physical Properties
Molecular Weight: 284.358 g/mol	logS: -8.12569	SlogP: 6.07522	Reactive groups: 0

Topological Properties
Globularity: 0.0801097	Sterimol/B1: 3.17569	Sterimol/B2: 3.77579	Sterimol/B3: 4.74668
Sterimol/B4: 6.64694	Sterimol/L: 14.5084

Surface and Volume Properties
Accessible surface: 537.992	Positive charged surface: 312.004	Negative charged surface: 221.726	Volume: 297.375
Hydrophobic surface: 529.328	Hydrophilic surface: 8.664

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.