MMsINC Database Search


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MMsINC code: MMs02769056

Type: Neutral
Formula: C₁₆H₂₄N₂O₅S

SMILES:

S(=O)(=O)(N(CC(=O)N)C1CCCCC1)c1cc(OC)c(OC)cc1

InChI:

InChI=1/C16H24N2O5S/c1-22-14-9-8-13(10-15(14)23-2)24(20,21)18(11-16(17)19)12-6-4-3-5-7-12/h8-10,12H,3-7,11H2,1-2H3,(H2,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4758 kcal/mol

Physical Properties
Molecular Weight: 356.443 g/mol	logS: -3.1489	SlogP: 1.5125	Reactive groups: 0

Topological Properties
Globularity: 0.106944	Sterimol/B1: 2.13462	Sterimol/B2: 3.22684	Sterimol/B3: 4.93296
Sterimol/B4: 8.17766	Sterimol/L: 14.592

Surface and Volume Properties
Accessible surface: 576.995	Positive charged surface: 425.168	Negative charged surface: 151.827	Volume: 322.375
Hydrophobic surface: 417.955	Hydrophilic surface: 159.04

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.