MMsINC Database Search


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MMsINC code: MMs02992600

Type: Neutral
Formula: C₁₉H₁₉NO₂S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C(C)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C19H19NO2S/c1-14(2)15-7-10-18(11-8-15)20-23(21,22)19-12-9-16-5-3-4-6-17(16)13-19/h3-14,20H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4215 kcal/mol

Physical Properties
Molecular Weight: 325.432 g/mol	logS: -6.42896	SlogP: 4.764	Reactive groups: 0

Topological Properties
Globularity: 0.115441	Sterimol/B1: 3.85946	Sterimol/B2: 4.16634	Sterimol/B3: 4.19873
Sterimol/B4: 6.24678	Sterimol/L: 15.5619

Surface and Volume Properties
Accessible surface: 561.073	Positive charged surface: 313.292	Negative charged surface: 237.753	Volume: 313.125
Hydrophobic surface: 443.109	Hydrophilic surface: 117.964

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.