MMsINC Database Search


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MMsINC code: MMs01980332

Type: Neutral
Formula: C₁₉H₂₄N₂O₂S

SMILES:

S(=O)(=O)(NC1CCCCC1Nc1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C19H24N2O2S/c1-15-11-13-16(14-12-15)20-18-9-5-6-10-19(18)21-24(22,23)17-7-3-2-4-8-17/h2-4,7-8,11-14,18-21H,5-6,9-10H2,1H3/t18-,19+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0073 kcal/mol

Physical Properties
Molecular Weight: 344.479 g/mol	logS: -4.2435	SlogP: 3.69662	Reactive groups: 0

Topological Properties
Globularity: 0.0943602	Sterimol/B1: 3.73206	Sterimol/B2: 3.87723	Sterimol/B3: 4.63016
Sterimol/B4: 6.31003	Sterimol/L: 17.3225

Surface and Volume Properties
Accessible surface: 592.263	Positive charged surface: 343.117	Negative charged surface: 249.146	Volume: 334.125
Hydrophobic surface: 512.529	Hydrophilic surface: 79.734

Pharmacophoric Properties
Hydrogen bond donors: 2	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.