MMsINC Database Search


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

MMsINC code: MMs00278596

Type: Neutral
Formula: C₂₀H₁₈F₂N₂O₃

SMILES:

Fc1cc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CCCC)ccc1F

InChI:

InChI=1/C20H18F2N2O3/c1-2-3-10-24-16-7-5-4-6-13(16)18(25)17(20(24)27)19(26)23-12-8-9-14(21)15(22)11-12/h4-9,11,25H,2-3,10H2,1H3,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5327 kcal/mol

Physical Properties
Molecular Weight: 372.371 g/mol	logS: -5.42346	SlogP: 4.0193	Reactive groups: 0

Topological Properties
Globularity: 0.0284973	Sterimol/B1: 2.12083	Sterimol/B2: 2.1472	Sterimol/B3: 4.13203
Sterimol/B4: 9.48279	Sterimol/L: 17.2975

Surface and Volume Properties
Accessible surface: 603.914	Positive charged surface: 339.2	Negative charged surface: 264.714	Volume: 333
Hydrophobic surface: 493.029	Hydrophilic surface: 110.885

Pharmacophoric Properties
Hydrogen bond donors: 2	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.