MMsINC Database Search


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

MMsINC code: MMs02293078

Type: Neutral
Formula: C₂₀H₁₅FO

SMILES:

Fc1ccc(cc1)Cc1ccccc1C(=O)c1ccccc1

InChI:

InChI=1/C20H15FO/c21-18-12-10-15(11-13-18)14-17-8-4-5-9-19(17)20(22)16-6-2-1-3-7-16/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.4567 kcal/mol

Physical Properties
Molecular Weight: 290.337 g/mol	logS: -5.86905	SlogP: 4.64747	Reactive groups: 0

Topological Properties
Globularity: 0.195623	Sterimol/B1: 2.81782	Sterimol/B2: 3.80379	Sterimol/B3: 4.85547
Sterimol/B4: 7.11847	Sterimol/L: 13.4631

Surface and Volume Properties
Accessible surface: 505.413	Positive charged surface: 260.233	Negative charged surface: 245.18	Volume: 285.625
Hydrophobic surface: 486.085	Hydrophilic surface: 19.328

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.