MMsINC Database Search


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MMsINC code: MMs01465493

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(N(C)c1ccc(OC)cc1)c1cc(ccc1)C(=O)NC(CC)C

InChI:

InChI=1/C19H24N2O4S/c1-5-14(2)20-19(22)15-7-6-8-18(13-15)26(23,24)21(3)16-9-11-17(25-4)12-10-16/h6-14H,5H2,1-4H3,(H,20,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.0996 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -4.175	SlogP: 3.0486	Reactive groups: 0

Topological Properties
Globularity: 0.0652103	Sterimol/B1: 3.42865	Sterimol/B2: 3.45422	Sterimol/B3: 5.27327
Sterimol/B4: 6.29911	Sterimol/L: 19.4369

Surface and Volume Properties
Accessible surface: 645.913	Positive charged surface: 422.046	Negative charged surface: 223.867	Volume: 357.75
Hydrophobic surface: 512.434	Hydrophilic surface: 133.479

Pharmacophoric Properties
Hydrogen bond donors: 1	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.