MMsINC Database Search


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MMsINC code: MMs01509130

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C19H24N2O3S/c1-15(9-10-16-7-5-4-6-8-16)20-19(22)17-11-13-18(14-12-17)25(23,24)21(2)3/h4-8,11-15H,9-10H2,1-3H3,(H,20,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6371 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -3.80292	SlogP: 2.68797	Reactive groups: 0

Topological Properties
Globularity: 0.0549692	Sterimol/B1: 2.17076	Sterimol/B2: 2.37952	Sterimol/B3: 5.66003
Sterimol/B4: 8.27244	Sterimol/L: 18.8124

Surface and Volume Properties
Accessible surface: 642.58	Positive charged surface: 402.199	Negative charged surface: 240.381	Volume: 352
Hydrophobic surface: 532.145	Hydrophilic surface: 110.435

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.