MMsINC Database Search


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

MMsINC code: MMs01984839

Type: Neutral
Formula: C₉H₁₂N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)N

InChI:

InChI=1/C9H12N2O3S/c1-11(2)15(13,14)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3,(H2,10,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.0959 kcal/mol

Physical Properties
Molecular Weight: 228.272 g/mol	logS: -1.55056	SlogP: 0.0358	Reactive groups: 0

Topological Properties
Globularity: 0.0902566	Sterimol/B1: 2.2038	Sterimol/B2: 2.5147	Sterimol/B3: 4.43172
Sterimol/B4: 5.3872	Sterimol/L: 12.378

Surface and Volume Properties
Accessible surface: 409.49	Positive charged surface: 260.4	Negative charged surface: 149.09	Volume: 197.25
Hydrophobic surface: 250.135	Hydrophilic surface: 159.355

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.