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MMsINC code: MMs02105453

Type: Neutral
Formula: C₁₉H₂₄N₄O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1

InChI:

InChI=1/C19H24N4O3S/c1-21(2)27(25,26)18-10-8-16(9-11-18)20-19(24)23-14-12-22(13-15-23)17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.128 kcal/mol

Physical Properties
Molecular Weight: 388.492 g/mol	logS: -3.10635	SlogP: 2.291	Reactive groups: 0

Topological Properties
Globularity: 0.0561525	Sterimol/B1: 2.28917	Sterimol/B2: 2.49995	Sterimol/B3: 5.4228
Sterimol/B4: 5.69068	Sterimol/L: 20.0284

Surface and Volume Properties
Accessible surface: 641.034	Positive charged surface: 438.036	Negative charged surface: 202.999	Volume: 359.375
Hydrophobic surface: 539.967	Hydrophilic surface: 101.067

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.