MMsINC Database Search


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MMsINC code: MMs01019603

Type: Neutral
Formula: C₁₅H₂₁N₃O₄S

SMILES:

S(=O)(=O)(N(CCCC)C)c1cc2N(C)C(=O)C(=O)N(c2cc1)C

InChI:

InChI=1/C15H21N3O4S/c1-5-6-9-16(2)23(21,22)11-7-8-12-13(10-11)18(4)15(20)14(19)17(12)3/h7-8,10H,5-6,9H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.9558 kcal/mol

Physical Properties
Molecular Weight: 339.416 g/mol	logS: -2.68368	SlogP: 1.0464	Reactive groups: 0

Topological Properties
Globularity: 0.177059	Sterimol/B1: 2.44597	Sterimol/B2: 2.47618	Sterimol/B3: 6.13384
Sterimol/B4: 7.99418	Sterimol/L: 12.8461

Surface and Volume Properties
Accessible surface: 537.31	Positive charged surface: 366.936	Negative charged surface: 170.375	Volume: 308
Hydrophobic surface: 374.79	Hydrophilic surface: 162.52

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.