MMsINC Database Search


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MMsINC code: MMs02882942

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(NCCCCCC(=O)Nc1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C19H24N2O3S/c1-16-11-13-18(14-12-16)25(23,24)20-15-7-3-6-10-19(22)21-17-8-4-2-5-9-17/h2,4-5,8-9,11-14,20H,3,6-7,10,15H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.817 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.18044	SlogP: 3.47242	Reactive groups: 0

Topological Properties
Globularity: 0.0385687	Sterimol/B1: 2.37569	Sterimol/B2: 3.03931	Sterimol/B3: 4.85496
Sterimol/B4: 7.81954	Sterimol/L: 21.559

Surface and Volume Properties
Accessible surface: 675.101	Positive charged surface: 406.254	Negative charged surface: 268.847	Volume: 347.875
Hydrophobic surface: 550.051	Hydrophilic surface: 125.05

Pharmacophoric Properties
Hydrogen bond donors: 2	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.