MMsINC Database Search


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MMsINC code: MMs00136884

Type: Neutral
Formula: C₁₇H₁₆N₂O₄S

SMILES:

S1(=O)(=O)N(CC(=O)NCc2ccc(cc2)C)C(=O)c2c1cccc2

InChI:

InChI=1/C17H16N2O4S/c1-12-6-8-13(9-7-12)10-18-16(20)11-19-17(21)14-4-2-3-5-15(14)24(19,22)23/h2-9H,10-11H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.9904 kcal/mol

Physical Properties
Molecular Weight: 344.391 g/mol	logS: -4.24086	SlogP: 1.72232	Reactive groups: 0

Topological Properties
Globularity: 0.0295407	Sterimol/B1: 3.08946	Sterimol/B2: 3.72049	Sterimol/B3: 4.0625
Sterimol/B4: 4.09308	Sterimol/L: 19.3429

Surface and Volume Properties
Accessible surface: 589.8	Positive charged surface: 314.699	Negative charged surface: 275.102	Volume: 305
Hydrophobic surface: 438.958	Hydrophilic surface: 150.842

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.