MMsINC Database Search


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MMsINC code: MMs01506125

Type: Neutral
Formula: C₁₉H₂₃N₃O₄S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(cc1)C)C

InChI:

InChI=1/C19H23N3O4S/c1-14-5-9-16(10-6-14)20-18(23)13-22(4)19(24)15-7-11-17(12-8-15)27(25,26)21(2)3/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)=102.954 kcal/mol

Physical Properties
Molecular Weight: 389.476 g/mol	logS: -3.80893	SlogP: 1.95602	Reactive groups: 0

Topological Properties
Globularity: 0.0326441	Sterimol/B1: 2.33497	Sterimol/B2: 3.52821	Sterimol/B3: 4.49708
Sterimol/B4: 7.10407	Sterimol/L: 20.158

Surface and Volume Properties
Accessible surface: 663.889	Positive charged surface: 436.298	Negative charged surface: 227.591	Volume: 365.125
Hydrophobic surface: 535.444	Hydrophilic surface: 128.445

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.