MMsINC Database Search


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MMsINC code: MMs02872055

Type: Neutral
Formula: C₁₅H₂₄N₂O₅S

SMILES:

S(=O)(=O)(N(CC(=O)NC(C)(C)C)C)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C15H24N2O5S/c1-15(2,3)16-14(18)10-17(4)23(19,20)11-7-8-12(21-5)13(9-11)22-6/h7-9H,10H2,1-6H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3028 kcal/mol

Physical Properties
Molecular Weight: 344.432 g/mol	logS: -2.5534	SlogP: 1.239	Reactive groups: 0

Topological Properties
Globularity: 0.260764	Sterimol/B1: 2.91684	Sterimol/B2: 3.94374	Sterimol/B3: 4.82571
Sterimol/B4: 8.2199	Sterimol/L: 13.6939

Surface and Volume Properties
Accessible surface: 549.317	Positive charged surface: 404.637	Negative charged surface: 144.68	Volume: 319.5
Hydrophobic surface: 408.584	Hydrophilic surface: 140.733

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.