MMsINC Database Search


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

MMsINC code: MMs00194281

Type: Neutral
Formula: C₁₇H₁₄N₂O₃S₂

SMILES:

s1cc(S(=O)(=O)Nc2ccccc2)cc1C(=O)Nc1ccccc1

InChI:

InChI=1/C17H14N2O3S2/c20-17(18-13-7-3-1-4-8-13)16-11-15(12-23-16)24(21,22)19-14-9-5-2-6-10-14/h1-12,19H,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9987 kcal/mol

Physical Properties
Molecular Weight: 358.442 g/mol	logS: -4.82338	SlogP: 3.8012	Reactive groups: 0

Topological Properties
Globularity: 0.107997	Sterimol/B1: 3.74712	Sterimol/B2: 4.19663	Sterimol/B3: 4.69042
Sterimol/B4: 5.98387	Sterimol/L: 15.2201

Surface and Volume Properties
Accessible surface: 574.872	Positive charged surface: 269.274	Negative charged surface: 305.598	Volume: 307.25
Hydrophobic surface: 451.879	Hydrophilic surface: 122.993

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.