MMsINC Database Search


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MMsINC code: MMs01516739

Type: Neutral
Formula: C₁₇H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(CC(=O)NC1CCCCC1)C)c1ccc(cc1)C(=O)C

InChI:

InChI=1/C17H24N2O4S/c1-13(20)14-8-10-16(11-9-14)24(22,23)19(2)12-17(21)18-15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.232 kcal/mol

Physical Properties
Molecular Weight: 352.455 g/mol	logS: -3.25442	SlogP: 1.9586	Reactive groups: 0

Topological Properties
Globularity: 0.145066	Sterimol/B1: 2.57065	Sterimol/B2: 3.30547	Sterimol/B3: 4.75371
Sterimol/B4: 9.67935	Sterimol/L: 14.1395

Surface and Volume Properties
Accessible surface: 591.406	Positive charged surface: 398.628	Negative charged surface: 192.778	Volume: 332.125
Hydrophobic surface: 466.69	Hydrophilic surface: 124.716

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.