MMsINC Database Search


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MMsINC code: MMs00175642

Type: Neutral
Formula: C₁₉H₂₀N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)Nc2c(cccc2C)C(C)C)C(=O)c2c1cccc2

InChI:

InChI=1/C19H20N2O4S/c1-12(2)14-9-6-7-13(3)18(14)20-17(22)11-21-19(23)15-8-4-5-10-16(15)26(21,24)25/h4-10,12H,11H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3013 kcal/mol

Physical Properties
Molecular Weight: 372.445 g/mol	logS: -5.17428	SlogP: 2.90162	Reactive groups: 0

Topological Properties
Globularity: 0.0998671	Sterimol/B1: 2.46486	Sterimol/B2: 3.90204	Sterimol/B3: 4.01654
Sterimol/B4: 8.20551	Sterimol/L: 15.9102

Surface and Volume Properties
Accessible surface: 595.8	Positive charged surface: 324.186	Negative charged surface: 271.615	Volume: 337.625
Hydrophobic surface: 437.001	Hydrophilic surface: 158.799

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.