MMsINC Database Search


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MMsINC code: MMs02317176

Type: Neutral
Formula: C₁₆H₂₀N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)C(C)(C)C)c1ccc(N)cc1

InChI:

InChI=1/C16H20N2O2S/c1-16(2,3)12-4-8-14(9-5-12)18-21(19,20)15-10-6-13(17)7-11-15/h4-11,18H,17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5414 kcal/mol

Physical Properties
Molecular Weight: 304.414 g/mol	logS: -4.78718	SlogP: 3.3671	Reactive groups: 0

Topological Properties
Globularity: 0.144913	Sterimol/B1: 3.02987	Sterimol/B2: 4.64387	Sterimol/B3: 5.1056
Sterimol/B4: 5.11728	Sterimol/L: 13.5993

Surface and Volume Properties
Accessible surface: 526.303	Positive charged surface: 318.512	Negative charged surface: 207.79	Volume: 289.125
Hydrophobic surface: 334.318	Hydrophilic surface: 191.985

Pharmacophoric Properties
Hydrogen bond donors: 2	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.