MMsINC Database Search


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MMsINC code: MMs02947632

Type: Neutral
Formula: C₁₁H₁₆N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NCC

InChI:

InChI=1/C11H16N2O3S/c1-4-12-11(14)9-5-7-10(8-6-9)17(15,16)13(2)3/h5-8H,4H2,1-3H3,(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.8056 kcal/mol

Physical Properties
Molecular Weight: 256.326 g/mol	logS: -1.77178	SlogP: 0.6866	Reactive groups: 0

Topological Properties
Globularity: 0.0567826	Sterimol/B1: 2.74161	Sterimol/B2: 2.94149	Sterimol/B3: 4.11576
Sterimol/B4: 5.36273	Sterimol/L: 15.0934

Surface and Volume Properties
Accessible surface: 477.764	Positive charged surface: 318.972	Negative charged surface: 158.793	Volume: 238
Hydrophobic surface: 353.894	Hydrophilic surface: 123.87

Pharmacophoric Properties
Hydrogen bond donors: 1	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

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Ions/Tautomers related molecules: no related molecules available.