MMsINC Database Search


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MMsINC code: MMs01503920

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1ccc(cc1)C(=O)NC(CC)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.7538 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.45183	SlogP: 3.4301	Reactive groups: 0

Topological Properties
Globularity: 0.066467	Sterimol/B1: 2.99131	Sterimol/B2: 4.51672	Sterimol/B3: 4.79745
Sterimol/B4: 4.85503	Sterimol/L: 18.1403

Surface and Volume Properties
Accessible surface: 614.636	Positive charged surface: 371.773	Negative charged surface: 242.863	Volume: 346.625
Hydrophobic surface: 488.399	Hydrophilic surface: 126.237

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.