MMsINC Database Search


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MMsINC code: MMs02737699

Type: Neutral
Formula: C₁₈H₂₆N₂O₃S

SMILES:

S(=O)(=O)(N(C1CCCC1)C1CCCC1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C18H26N2O3S/c1-14(21)19-15-10-12-18(13-11-15)24(22,23)20(16-6-2-3-7-16)17-8-4-5-9-17/h10-13,16-17H,2-9H2,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.888 kcal/mol

Physical Properties
Molecular Weight: 350.483 g/mol	logS: -3.41973	SlogP: 3.5209	Reactive groups: 0

Topological Properties
Globularity: 0.105791	Sterimol/B1: 3.42257	Sterimol/B2: 4.62976	Sterimol/B3: 5.08495
Sterimol/B4: 5.98413	Sterimol/L: 15.6585

Surface and Volume Properties
Accessible surface: 566.706	Positive charged surface: 372.222	Negative charged surface: 194.484	Volume: 332.875
Hydrophobic surface: 472.645	Hydrophilic surface: 94.061

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.