MMsINC Database Search


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

MMsINC code: MMs00959212

Type: Neutral
Formula: C₂₀H₂₀N₂O₃S₂

SMILES:

s1cccc1S(=O)(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1

InChI:

InChI=1/C20H20N2O3S2/c23-20(21-15-17-10-5-2-6-11-17)18(14-16-8-3-1-4-9-16)22-27(24,25)19-12-7-13-26-19/h1-13,18,22H,14-15H2,(H,21,23)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.6632 kcal/mol

Physical Properties
Molecular Weight: 400.523 g/mol	logS: -4.95771	SlogP: 3.22047	Reactive groups: 0

Topological Properties
Globularity: 0.155149	Sterimol/B1: 2.097	Sterimol/B2: 4.21853	Sterimol/B3: 5.11111
Sterimol/B4: 7.76445	Sterimol/L: 16.0231

Surface and Volume Properties
Accessible surface: 622.241	Positive charged surface: 330.295	Negative charged surface: 291.946	Volume: 364.75
Hydrophobic surface: 514.421	Hydrophilic surface: 107.82

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.