MMsINC Database Search


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MMsINC code: MMs01661622

Type: Neutral
Formula: C₁₇H₁₅N₃O₅S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)N1C(=O)c2c(cccc2N)C1=O

InChI:

InChI=1/C17H15N3O5S/c1-19(2)26(24,25)11-8-6-10(7-9-11)15(21)20-16(22)12-4-3-5-13(18)14(12)17(20)23/h3-9H,18H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.5131 kcal/mol

Physical Properties
Molecular Weight: 373.389 g/mol	logS: -3.72438	SlogP: 0.9555	Reactive groups: 0

Topological Properties
Globularity: 0.0644182	Sterimol/B1: 2.09015	Sterimol/B2: 4.13131	Sterimol/B3: 5.4733
Sterimol/B4: 6.24169	Sterimol/L: 15.7161

Surface and Volume Properties
Accessible surface: 566.638	Positive charged surface: 349.07	Negative charged surface: 217.568	Volume: 314.5
Hydrophobic surface: 368.547	Hydrophilic surface: 198.091

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.