MMsINC Database Search


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

MMsINC code: MMs01713460

Type: Neutral
Formula: C₁₈H₂₂N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1cc(ccc1)C(=O)N(Cc1ccc(cc1)C)C

InChI:

InChI=1/C18H22N2O3S/c1-14-8-10-15(11-9-14)13-20(4)18(21)16-6-5-7-17(12-16)24(22,23)19(2)3/h5-12H,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.6021 kcal/mol

Physical Properties
Molecular Weight: 346.451 g/mol	logS: -3.5804	SlogP: 2.78392	Reactive groups: 0

Topological Properties
Globularity: 0.0729293	Sterimol/B1: 2.53181	Sterimol/B2: 3.03508	Sterimol/B3: 5.19424
Sterimol/B4: 7.45019	Sterimol/L: 17.0181

Surface and Volume Properties
Accessible surface: 604.925	Positive charged surface: 397.843	Negative charged surface: 207.081	Volume: 332.625
Hydrophobic surface: 515.194	Hydrophilic surface: 89.731

Pharmacophoric Properties
Hydrogen bond donors: 0	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.