MMsINC Database Search


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MMsINC code: MMs01074693

Type: Neutral
Formula: C₁₁H₁₈N₂O₄S

SMILES:

S(=O)(=O)(N(C)C)NCc1cc(OC)c(OC)cc1

InChI:

InChI=1/C11H18N2O4S/c1-13(2)18(14,15)12-8-9-5-6-10(16-3)11(7-9)17-4/h5-7,12H,8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=11.9127 kcal/mol

Physical Properties
Molecular Weight: 274.341 g/mol	logS: -1.04053	SlogP: 0.8662	Reactive groups: 0

Topological Properties
Globularity: 0.0685019	Sterimol/B1: 2.86027	Sterimol/B2: 3.40757	Sterimol/B3: 4.06634
Sterimol/B4: 6.65308	Sterimol/L: 14.7853

Surface and Volume Properties
Accessible surface: 506.799	Positive charged surface: 395.163	Negative charged surface: 111.636	Volume: 249.625
Hydrophobic surface: 405.456	Hydrophilic surface: 101.343

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

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Ions/Tautomers related molecules: no related molecules available.