MMsINC Database Search


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

MMsINC code: MMs01291060

Type: Neutral
Formula: C₁₅H₁₆ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)NC(C)(C)C

InChI:

InChI=1/C15H16ClFN2O2/c1-8-11(14(20)18-15(2,3)4)13(19-21-8)12-9(16)6-5-7-10(12)17/h5-7H,1-4H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9127 kcal/mol

Physical Properties
Molecular Weight: 310.756 g/mol	logS: -4.89683	SlogP: 3.97082	Reactive groups: 0

Topological Properties
Globularity: 0.187902	Sterimol/B1: 2.50632	Sterimol/B2: 3.488	Sterimol/B3: 4.46884
Sterimol/B4: 8.29373	Sterimol/L: 11.8913

Surface and Volume Properties
Accessible surface: 510.584	Positive charged surface: 259.13	Negative charged surface: 251.454	Volume: 279.75
Hydrophobic surface: 419.669	Hydrophilic surface: 90.915

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.