MMsINC Database Search


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MMsINC code: MMs01417507

Type: Neutral
Formula: C₁₆H₂₀N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)NCC2CCCCC2)C(=O)c2c1cccc2

InChI:

InChI=1/C16H20N2O4S/c19-15(17-10-12-6-2-1-3-7-12)11-18-16(20)13-8-4-5-9-14(13)23(18,21)22/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.4361 kcal/mol

Physical Properties
Molecular Weight: 336.412 g/mol	logS: -4.17341	SlogP: 1.5276	Reactive groups: 0

Topological Properties
Globularity: 0.0435131	Sterimol/B1: 2.67526	Sterimol/B2: 3.2642	Sterimol/B3: 3.7901
Sterimol/B4: 5.75401	Sterimol/L: 18.3225

Surface and Volume Properties
Accessible surface: 575.041	Positive charged surface: 353.83	Negative charged surface: 221.211	Volume: 302.25
Hydrophobic surface: 433.134	Hydrophilic surface: 141.907

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.