MMsINC Database Search


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MMsINC code: MMs01424010

Type: Neutral
Formula: C₁₉H₂₃N₃O₄S₂

SMILES:

S(C)c1ccccc1NC(=O)CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1)C

InChI:

InChI=1/C19H23N3O4S2/c1-21(2)28(25,26)15-9-7-8-14(12-15)19(24)22(3)13-18(23)20-16-10-5-6-11-17(16)27-4/h5-12H,13H2,1-4H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.917 kcal/mol

Physical Properties
Molecular Weight: 421.542 g/mol	logS: -4.35641	SlogP: 2.3695	Reactive groups: 0

Topological Properties
Globularity: 0.0821108	Sterimol/B1: 2.44096	Sterimol/B2: 4.12207	Sterimol/B3: 4.47591
Sterimol/B4: 8.55471	Sterimol/L: 17.6917

Surface and Volume Properties
Accessible surface: 684.058	Positive charged surface: 428.204	Negative charged surface: 255.855	Volume: 380.5
Hydrophobic surface: 527.585	Hydrophilic surface: 156.473

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.