MMsINC Database Search


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

MMsINC code: MMs01111614

Type: Neutral
Formula: C₁₉H₁₈ClF₃N₂O₄

SMILES:

Clc1ccc(NC(=O)NC(Oc2ccc(cc2)CC)(C(OC)=O)C(F)(F)F)cc1

InChI:

InChI=1/C19H18ClF3N2O4/c1-3-12-4-10-15(11-5-12)29-18(16(26)28-2,19(21,22)23)25-17(27)24-14-8-6-13(20)7-9-14/h4-11H,3H2,1-2H3,(H2,24,25,27)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.89 kcal/mol

Physical Properties
Molecular Weight: 430.81 g/mol	logS: -6.54346	SlogP: 4.95437	Reactive groups: 1

Topological Properties
Globularity: 0.193263	Sterimol/B1: 2.49882	Sterimol/B2: 2.88651	Sterimol/B3: 5.39777
Sterimol/B4: 10.5621	Sterimol/L: 16.1952

Surface and Volume Properties
Accessible surface: 654.261	Positive charged surface: 339.807	Negative charged surface: 314.454	Volume: 356.5
Hydrophobic surface: 483.68	Hydrophilic surface: 170.581

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.