MMsINC Database Search


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MMsINC code: MMs02993677

Type: Neutral
Formula: C₁₉H₂₅NO₂S

SMILES:

S(=O)(=O)(NCc1ccccc1C(C)C)c1c(cc(cc1C)C)C

InChI:

InChI=1/C19H25NO2S/c1-13(2)18-9-7-6-8-17(18)12-20-23(21,22)19-15(4)10-14(3)11-16(19)5/h6-11,13,20H,12H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1555 kcal/mol

Physical Properties
Molecular Weight: 331.48 g/mol	logS: -5.28998	SlogP: 4.48016	Reactive groups: 0

Topological Properties
Globularity: 0.201005	Sterimol/B1: 2.48216	Sterimol/B2: 3.58723	Sterimol/B3: 6.14315
Sterimol/B4: 6.43115	Sterimol/L: 15.0273

Surface and Volume Properties
Accessible surface: 568.793	Positive charged surface: 329.758	Negative charged surface: 239.035	Volume: 331.625
Hydrophobic surface: 471.096	Hydrophilic surface: 97.697

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.