MMsINC Database Search


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MMsINC code: MMs00163914

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(ccc1C)C(=O)NCc1ccccc1

InChI:

InChI=1/C19H24N2O3S/c1-4-21(5-2)25(23,24)18-13-17(12-11-15(18)3)19(22)20-14-16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.3801 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.02736	SlogP: 3.22192	Reactive groups: 0

Topological Properties
Globularity: 0.0883845	Sterimol/B1: 2.51118	Sterimol/B2: 2.51771	Sterimol/B3: 6.02863
Sterimol/B4: 7.64799	Sterimol/L: 17.3149

Surface and Volume Properties
Accessible surface: 618.956	Positive charged surface: 371.255	Negative charged surface: 247.701	Volume: 349.75
Hydrophobic surface: 493.605	Hydrophilic surface: 125.351

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.