MMsINC Database Search


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

MMsINC code: MMs00960089

Type: Neutral
Formula: C₁₉H₁₈N₂O₃S₂

SMILES:

s1cccc1S(=O)(=O)NC(C(=O)NCc1ccccc1)c1ccccc1

InChI:

InChI=1/C19H18N2O3S2/c22-19(20-14-15-8-3-1-4-9-15)18(16-10-5-2-6-11-16)21-26(23,24)17-12-7-13-25-17/h1-13,18,21H,14H2,(H,20,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.5634 kcal/mol

Physical Properties
Molecular Weight: 386.496 g/mol	logS: -4.89624	SlogP: 3.446	Reactive groups: 0

Topological Properties
Globularity: 0.140416	Sterimol/B1: 3.59018	Sterimol/B2: 4.00779	Sterimol/B3: 4.69118
Sterimol/B4: 8.4313	Sterimol/L: 14.8079

Surface and Volume Properties
Accessible surface: 638.768	Positive charged surface: 307.314	Negative charged surface: 331.454	Volume: 349.375
Hydrophobic surface: 535.44	Hydrophilic surface: 103.328

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.