MMsINC Database Search


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MMsINC code: MMs02682999

Type: Neutral
Formula: C₁₄H₂₃NO₂S

SMILES:

S(=O)(=O)(NC(C)(C)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C14H23NO2S/c1-13(2,3)11-7-9-12(10-8-11)18(16,17)15-14(4,5)6/h7-10,15H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7557 kcal/mol

Physical Properties
Molecular Weight: 269.409 g/mol	logS: -4.22407	SlogP: 3.0609	Reactive groups: 0

Topological Properties
Globularity: 0.142382	Sterimol/B1: 2.88737	Sterimol/B2: 3.65157	Sterimol/B3: 5.05178
Sterimol/B4: 5.08468	Sterimol/L: 13.4107

Surface and Volume Properties
Accessible surface: 487.36	Positive charged surface: 303.841	Negative charged surface: 183.519	Volume: 269.125
Hydrophobic surface: 319.713	Hydrophilic surface: 167.647

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.