MMsINC Database Search


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MMsINC code: MMs01632070

Type: Neutral
Formula: C₁₇H₁₆N₂O₂S

SMILES:

S(=O)(=O)(NN(C)c1ccccc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C17H16N2O2S/c1-19(16-9-3-2-4-10-16)18-22(20,21)17-12-11-14-7-5-6-8-15(14)13-17/h2-13,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6622 kcal/mol

Physical Properties
Molecular Weight: 312.393 g/mol	logS: -4.98011	SlogP: 3.1695	Reactive groups: 0

Topological Properties
Globularity: 0.296906	Sterimol/B1: 3.1253	Sterimol/B2: 5.41503	Sterimol/B3: 5.44904
Sterimol/B4: 5.73613	Sterimol/L: 12.8823

Surface and Volume Properties
Accessible surface: 494.775	Positive charged surface: 285.41	Negative charged surface: 203.671	Volume: 288.375
Hydrophobic surface: 411.683	Hydrophilic surface: 83.092

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.