MMsINC Database Search


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

MMsINC code: MMs02000949

Type: Neutral
Formula: C₂₃H₁₉ClFNO₂

SMILES:

Clc1ccc(cc1)COc1c2c(ccc1)C(=O)N(CC2)Cc1ccccc1F

InChI:

InChI=1/C23H19ClFNO2/c24-18-10-8-16(9-11-18)15-28-22-7-3-5-20-19(22)12-13-26(23(20)27)14-17-4-1-2-6-21(17)25/h1-11H,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6512 kcal/mol

Physical Properties
Molecular Weight: 395.861 g/mol	logS: -6.22434	SlogP: 5.78937	Reactive groups: 0

Topological Properties
Globularity: 0.0683021	Sterimol/B1: 2.87306	Sterimol/B2: 2.98065	Sterimol/B3: 4.65595
Sterimol/B4: 8.29343	Sterimol/L: 18.7243

Surface and Volume Properties
Accessible surface: 655.441	Positive charged surface: 359.08	Negative charged surface: 296.362	Volume: 364.875
Hydrophobic surface: 623.178	Hydrophilic surface: 32.263

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.