MMsINC Database Search


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

MMsINC code: MMs01721145

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₂

SMILES:

Clc1cccc(NC(=O)C(NC(=O)c2ccccc2F)C(C)C)c1C

InChI:

InChI=1/C19H20ClFN2O2/c1-11(2)17(23-18(24)13-7-4-5-9-15(13)21)19(25)22-16-10-6-8-14(20)12(16)3/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)=109.754 kcal/mol

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

Topological Properties
Globularity: 0.0788857	Sterimol/B1: 2.31776	Sterimol/B2: 4.11047	Sterimol/B3: 5.24638
Sterimol/B4: 5.71644	Sterimol/L: 17.5694

Surface and Volume Properties
Accessible surface: 599.519	Positive charged surface: 305.722	Negative charged surface: 293.797	Volume: 331.75
Hydrophobic surface: 525.151	Hydrophilic surface: 74.368

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.