MMsINC Database Search


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MMsINC code: MMs00900566

Type: Neutral
Formula: C₁₉H₂₄N₂O₄S₂

SMILES:

S(Cc1ccccc1)CCNC(=O)CN(S(=O)(=O)C)c1ccccc1OC

InChI:

InChI=1/C19H24N2O4S2/c1-25-18-11-7-6-10-17(18)21(27(2,23)24)14-19(22)20-12-13-26-15-16-8-4-3-5-9-16/h3-11H,12-15H2,1-2H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=106.68 kcal/mol

Physical Properties
Molecular Weight: 408.543 g/mol	logS: -4.28117	SlogP: 2.7772	Reactive groups: 0

Topological Properties
Globularity: 0.0584633	Sterimol/B1: 2.27679	Sterimol/B2: 2.28873	Sterimol/B3: 5.99484
Sterimol/B4: 7.98042	Sterimol/L: 19.3606

Surface and Volume Properties
Accessible surface: 695.474	Positive charged surface: 445.139	Negative charged surface: 250.335	Volume: 379.5
Hydrophobic surface: 577.366	Hydrophilic surface: 118.108

Pharmacophoric Properties
Hydrogen bond donors: 1	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.