MMsINC Database Search


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

MMsINC code: MMs01210099

Type: Neutral
Formula: C₁₁H₁₀F₂N₂O₂S

SMILES:

S1CC(=O)N(CC(=O)N)C1c1ccc(F)cc1F

InChI:

InChI=1/C11H10F2N2O2S/c12-6-1-2-7(8(13)3-6)11-15(4-9(14)16)10(17)5-18-11/h1-3,11H,4-5H2,(H2,14,16)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.5115 kcal/mol

Physical Properties
Molecular Weight: 272.275 g/mol	logS: -3.31499	SlogP: 1.1196	Reactive groups: 0

Topological Properties
Globularity: 0.244864	Sterimol/B1: 2.52927	Sterimol/B2: 5.03483	Sterimol/B3: 5.0483
Sterimol/B4: 5.4811	Sterimol/L: 11.2573

Surface and Volume Properties
Accessible surface: 434.41	Positive charged surface: 223.694	Negative charged surface: 210.716	Volume: 220.625
Hydrophobic surface: 257.74	Hydrophilic surface: 176.67

Pharmacophoric Properties
Hydrogen bond donors: 1	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.