MMsINC Database Search


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MMsINC code: MMs02067929

Type: Neutral
Formula: C₁₇H₁₆N₂O₄S

SMILES:

S1(=O)(=O)N(CCC(=O)N(C)c2ccccc2)C(=O)c2c1cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4413 kcal/mol

Physical Properties
Molecular Weight: 344.391 g/mol	logS: -3.59883	SlogP: 1.8842	Reactive groups: 0

Topological Properties
Globularity: 0.0502149	Sterimol/B1: 2.19893	Sterimol/B2: 3.22138	Sterimol/B3: 5.22386
Sterimol/B4: 5.33445	Sterimol/L: 18.4533

Surface and Volume Properties
Accessible surface: 573.573	Positive charged surface: 310.196	Negative charged surface: 263.377	Volume: 303
Hydrophobic surface: 450.197	Hydrophilic surface: 123.376

Pharmacophoric Properties
Hydrogen bond donors: 0	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.