MMsINC Database Search


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MMsINC code: MMs02580133

Type: Neutral
Formula: C₁₉H₂₅NO₂S

SMILES:

S(=O)(=O)(N(C)c1ccccc1)c1cc(cc(C)c1C)C(C)(C)C

InChI:

InChI=1/C19H25NO2S/c1-14-12-16(19(3,4)5)13-18(15(14)2)23(21,22)20(6)17-10-8-7-9-11-17/h7-13H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.63 kcal/mol

Physical Properties
Molecular Weight: 331.48 g/mol	logS: -5.77627	SlogP: 4.42604	Reactive groups: 0

Topological Properties
Globularity: 0.150978	Sterimol/B1: 2.31516	Sterimol/B2: 2.48293	Sterimol/B3: 5.84173
Sterimol/B4: 8.88024	Sterimol/L: 13.7205

Surface and Volume Properties
Accessible surface: 543.282	Positive charged surface: 317.194	Negative charged surface: 226.087	Volume: 329.25
Hydrophobic surface: 444.138	Hydrophilic surface: 99.144

Pharmacophoric Properties
Hydrogen bond donors: 0	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.