MMsINC Database Search


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MMsINC code: MMs00208505

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N1CCN(CC1)c1ccccc1OC)c1cc(C)c(OC)cc1

InChI:

InChI=1/C19H24N2O4S/c1-15-14-16(8-9-18(15)24-2)26(22,23)21-12-10-20(11-13-21)17-6-4-5-7-19(17)25-3/h4-9,14H,10-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=151.909 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -3.43026	SlogP: 2.52312	Reactive groups: 0

Topological Properties
Globularity: 0.133345	Sterimol/B1: 2.2297	Sterimol/B2: 4.91614	Sterimol/B3: 6.02081
Sterimol/B4: 6.29659	Sterimol/L: 15.8735

Surface and Volume Properties
Accessible surface: 628.48	Positive charged surface: 452.36	Negative charged surface: 176.12	Volume: 353.125
Hydrophobic surface: 549.441	Hydrophilic surface: 79.039

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.