MMsINC Database Search


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MMsINC code: MMs01397378

Type: Neutral
Formula: C₁₆H₂₄N₂O₄S

SMILES:

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

InChI:

InChI=1/C16H24N2O4S/c1-6-18(11-14(19)17-16(2,3)4)15(20)12-7-9-13(10-8-12)23(5,21)22/h7-10H,6,11H2,1-5H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.67 kcal/mol

Physical Properties
Molecular Weight: 340.444 g/mol	logS: -3.04712	SlogP: 1.4669	Reactive groups: 0

Topological Properties
Globularity: 0.100842	Sterimol/B1: 2.12234	Sterimol/B2: 3.13131	Sterimol/B3: 3.58521
Sterimol/B4: 10.0674	Sterimol/L: 14.0455

Surface and Volume Properties
Accessible surface: 571.321	Positive charged surface: 340.852	Negative charged surface: 230.469	Volume: 322.875
Hydrophobic surface: 378.601	Hydrophilic surface: 192.72

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.