MMsINC Database Search


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

MMsINC code: MMs00705139

Type: Neutral
Formula: C₁₈H₁₃ClF₂N₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1cc(ccc1F)C

InChI:

InChI=1/C18H13ClF2N2O2/c1-9-6-7-12(20)14(8-9)22-18(24)15-10(2)25-23-17(15)16-11(19)4-3-5-13(16)21/h3-8H,1-2H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.598 kcal/mol

Physical Properties
Molecular Weight: 362.763 g/mol	logS: -6.50796	SlogP: 5.14234	Reactive groups: 0

Topological Properties
Globularity: 0.153496	Sterimol/B1: 2.42511	Sterimol/B2: 5.48907	Sterimol/B3: 5.52307
Sterimol/B4: 6.69179	Sterimol/L: 13.7896

Surface and Volume Properties
Accessible surface: 576.476	Positive charged surface: 261.478	Negative charged surface: 314.998	Volume: 308.625
Hydrophobic surface: 532.235	Hydrophilic surface: 44.241

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.