MMsINC Database Search


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

MMsINC code: MMs02157375

Type: Neutral
Formula: C₁₉H₁₄ClFN₂O₃

SMILES:

Clc1ccccc1-c1noc(C)c1C(O\N=C(/C)\c1ccc(F)cc1)=O

InChI:

InChI=1/C19H14ClFN2O3/c1-11(13-7-9-14(21)10-8-13)22-26-19(24)17-12(2)25-23-18(17)15-5-3-4-6-16(15)20/h3-10H,1-2H3/b22-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.171 kcal/mol

Physical Properties
Molecular Weight: 372.783 g/mol	logS: -6.37257	SlogP: 5.02352	Reactive groups: 0

Topological Properties
Globularity: 0.147103	Sterimol/B1: 2.25014	Sterimol/B2: 3.87826	Sterimol/B3: 4.57942
Sterimol/B4: 10.2846	Sterimol/L: 15.428

Surface and Volume Properties
Accessible surface: 618.23	Positive charged surface: 273.343	Negative charged surface: 344.887	Volume: 326.125
Hydrophobic surface: 564.252	Hydrophilic surface: 53.978

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.