MMsINC Database Search


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MMsINC code: MMs01627696

Type: Neutral
Formula: C₁₇H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N1CCN(CC1)C(=O)C1CCCC1)c1ccc(OC)cc1

InChI:

InChI=1/C17H24N2O4S/c1-23-15-6-8-16(9-7-15)24(21,22)19-12-10-18(11-13-19)17(20)14-4-2-3-5-14/h6-9,14H,2-5,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0237 kcal/mol

Physical Properties
Molecular Weight: 352.455 g/mol	logS: -2.90354	SlogP: 1.7183	Reactive groups: 0

Topological Properties
Globularity: 0.0839616	Sterimol/B1: 2.43518	Sterimol/B2: 4.35061	Sterimol/B3: 4.36246
Sterimol/B4: 6.34734	Sterimol/L: 18.2875

Surface and Volume Properties
Accessible surface: 588.403	Positive charged surface: 414.883	Negative charged surface: 173.52	Volume: 324.75
Hydrophobic surface: 497.717	Hydrophilic surface: 90.686

Pharmacophoric Properties
Hydrogen bond donors: 0	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.