MMsINC Database Search


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

MMsINC code: MMs01502400

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₂

SMILES:

Clc1cc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)ccc1C

InChI:

InChI=1/C19H20ClFN2O2/c1-11(2)17(23-18(24)14-6-4-5-7-16(14)21)19(25)22-13-9-8-12(3)15(20)10-13/h4-11,17H,1-3H3,(H,22,25)(H,23,24)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.9817 kcal/mol

Physical Properties
Molecular Weight: 362.832 g/mol	logS: -5.44793	SlogP: 4.18062	Reactive groups: 0

Topological Properties
Globularity: 0.0535467	Sterimol/B1: 2.94269	Sterimol/B2: 3.46594	Sterimol/B3: 3.67282
Sterimol/B4: 7.1509	Sterimol/L: 17.6553

Surface and Volume Properties
Accessible surface: 607.72	Positive charged surface: 318.003	Negative charged surface: 289.717	Volume: 332.625
Hydrophobic surface: 522.501	Hydrophilic surface: 85.219

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