MMsINC Database Search


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

MMsINC code: MMs03000114

Type: Neutral
Formula: C₁₈H₂₂O

SMILES:

O(Cc1ccc(cc1)CCc1ccc(cc1)C)CC

InChI:

InChI=1/C18H22O/c1-3-19-14-18-12-10-17(11-13-18)9-8-16-6-4-15(2)5-7-16/h4-7,10-13H,3,8-9,14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.4438 kcal/mol

Physical Properties
Molecular Weight: 254.373 g/mol	logS: -4.79351	SlogP: 4.58306	Reactive groups: 0

Topological Properties
Globularity: 0.0290815	Sterimol/B1: 2.05492	Sterimol/B2: 3.61406	Sterimol/B3: 3.62375
Sterimol/B4: 4.36462	Sterimol/L: 19.6458

Surface and Volume Properties
Accessible surface: 563.554	Positive charged surface: 372.439	Negative charged surface: 191.115	Volume: 285.125
Hydrophobic surface: 529.007	Hydrophilic surface: 34.547

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.