MMsINC Database Search


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MMsINC code: MMs02067931

Type: Neutral
Formula: C₁₉H₂₀N₂O₄S

SMILES:

S1(=O)(=O)N(CCC(=O)N(CC)c2ccccc2C)C(=O)c2c1cccc2

InChI:

InChI=1/C19H20N2O4S/c1-3-20(16-10-6-4-8-14(16)2)18(22)12-13-21-19(23)15-9-5-7-11-17(15)26(21,24)25/h4-11H,3,12-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.0098 kcal/mol

Physical Properties
Molecular Weight: 372.445 g/mol	logS: -4.08651	SlogP: 2.58272	Reactive groups: 0

Topological Properties
Globularity: 0.0664201	Sterimol/B1: 2.19816	Sterimol/B2: 2.4528	Sterimol/B3: 5.19908
Sterimol/B4: 6.45365	Sterimol/L: 18.4422

Surface and Volume Properties
Accessible surface: 601.911	Positive charged surface: 316.76	Negative charged surface: 285.151	Volume: 338.25
Hydrophobic surface: 461.931	Hydrophilic surface: 139.98

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.