MMsINC Database Search


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

MMsINC code: MMs02195523

Type: Neutral
Formula: C₁₈H₁₉FO

SMILES:

Fc1ccc(cc1)C1(CCCCC1)c1ccc(O)cc1

InChI:

InChI=1/C18H19FO/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,20H,1-3,12-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.8764 kcal/mol

Physical Properties
Molecular Weight: 270.347 g/mol	logS: -5.90835	SlogP: 4.7815	Reactive groups: 0

Topological Properties
Globularity: 0.281291	Sterimol/B1: 2.62868	Sterimol/B2: 5.0042	Sterimol/B3: 5.33356
Sterimol/B4: 5.33447	Sterimol/L: 12.2232

Surface and Volume Properties
Accessible surface: 477.035	Positive charged surface: 295.066	Negative charged surface: 181.969	Volume: 268.25
Hydrophobic surface: 425.7	Hydrophilic surface: 51.335

Pharmacophoric Properties
Hydrogen bond donors: 1	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.