MMsINC Database Search


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

MMsINC code: MMs02836441

Type: Neutral
Formula: C₁₈H₁₂ClFN₂O₄

SMILES:

ClC1=C(Nc2cc(ccc2)C(OC)=O)C(=O)N(C1=O)c1ccccc1F

InChI:

InChI=1/C18H12ClFN2O4/c1-26-18(25)10-5-4-6-11(9-10)21-15-14(19)16(23)22(17(15)24)13-8-3-2-7-12(13)20/h2-9,21H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.208 kcal/mol

Physical Properties
Molecular Weight: 374.755 g/mol	logS: -5.68684	SlogP: 3.1569	Reactive groups: 1

Topological Properties
Globularity: 0.0811191	Sterimol/B1: 1.99168	Sterimol/B2: 3.576	Sterimol/B3: 4.4279
Sterimol/B4: 9.48876	Sterimol/L: 14.1959

Surface and Volume Properties
Accessible surface: 590.307	Positive charged surface: 302.141	Negative charged surface: 288.166	Volume: 312.125
Hydrophobic surface: 476.982	Hydrophilic surface: 113.325

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.