MMsINC Database Search


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MMsINC code: MMs02133626

Type: Neutral
Formula: C₁₅H₂₀N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C(C)(C)C)c1c(noc1C)C

InChI:

InChI=1/C15H20N2O3S/c1-10-14(11(2)20-16-10)21(18,19)17-13-8-6-12(7-9-13)15(3,4)5/h6-9,17H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.8301 kcal/mol

Physical Properties
Molecular Weight: 308.402 g/mol	logS: -4.33943	SlogP: 3.38974	Reactive groups: 0

Topological Properties
Globularity: 0.15502	Sterimol/B1: 2.32561	Sterimol/B2: 3.73632	Sterimol/B3: 4.2583
Sterimol/B4: 6.77756	Sterimol/L: 14.058

Surface and Volume Properties
Accessible surface: 509.735	Positive charged surface: 285.465	Negative charged surface: 224.27	Volume: 287.25
Hydrophobic surface: 360.55	Hydrophilic surface: 149.185

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.