MMsINC Database Search


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MMsINC code: MMs03612727

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S

SMILES:

S(=O)(=O)(NC(C(=O)NCCc1ccc(OC)cc1)C)c1ccc(cc1)C

InChI:

InChI=1/C19H24N2O4S/c1-14-4-10-18(11-5-14)26(23,24)21-15(2)19(22)20-13-12-16-6-8-17(25-3)9-7-16/h4-11,15,21H,12-13H2,1-3H3,(H,20,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8465 kcal/mol

Physical Properties
Molecular Weight: 376.477 g/mol	logS: -4.07631	SlogP: 2.02929	Reactive groups: 0

Topological Properties
Globularity: 0.03731	Sterimol/B1: 2.36542	Sterimol/B2: 3.35927	Sterimol/B3: 3.89569
Sterimol/B4: 7.24624	Sterimol/L: 21.9612

Surface and Volume Properties
Accessible surface: 660.868	Positive charged surface: 407.316	Negative charged surface: 253.552	Volume: 358.5
Hydrophobic surface: 514.035	Hydrophilic surface: 146.833

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.