MMsINC Database Search


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MMsINC code: MMs02652912

Type: Neutral
Formula: C₁₉H₂₄N₂O₂S

SMILES:

S(=O)(=O)(NC1CCCCC1N(C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H24N2O2S/c1-21(16-10-4-2-5-11-16)19-15-9-8-14-18(19)20-24(22,23)17-12-6-3-7-13-17/h2-7,10-13,18-20H,8-9,14-15H2,1H3/t18-,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.5393 kcal/mol

Physical Properties
Molecular Weight: 344.479 g/mol	logS: -3.90053	SlogP: 3.4125	Reactive groups: 0

Topological Properties
Globularity: 0.163732	Sterimol/B1: 1.969	Sterimol/B2: 5.37595	Sterimol/B3: 5.51794
Sterimol/B4: 6.48164	Sterimol/L: 15.8168

Surface and Volume Properties
Accessible surface: 567.447	Positive charged surface: 344.937	Negative charged surface: 222.51	Volume: 334.5
Hydrophobic surface: 504.455	Hydrophilic surface: 62.992

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.