MMsINC Database Search


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MMsINC code: MMs03179146

Type: Neutral
Formula: C₁₇H₂₆N₂O₄S

SMILES:

S(=O)(=O)(NC(C(=O)NC1CCCCC1)C)c1cc(C)c(OC)cc1

InChI:

InChI=1/C17H26N2O4S/c1-12-11-15(9-10-16(12)23-3)24(21,22)19-13(2)17(20)18-14-7-5-4-6-8-14/h9-11,13-14,19H,4-8H2,1-3H3,(H,18,20)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.6725 kcal/mol

Physical Properties
Molecular Weight: 354.471 g/mol	logS: -3.40463	SlogP: 2.11932	Reactive groups: 0

Topological Properties
Globularity: 0.142959	Sterimol/B1: 2.40197	Sterimol/B2: 3.8519	Sterimol/B3: 6.13137
Sterimol/B4: 7.14085	Sterimol/L: 15.0184

Surface and Volume Properties
Accessible surface: 626.489	Positive charged surface: 432.753	Negative charged surface: 193.736	Volume: 338.625
Hydrophobic surface: 498.599	Hydrophilic surface: 127.89

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.