MMsINC Database Search


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MMsINC code: MMs02075146

Type: Neutral
Formula: C₁₇H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C(C)C)C(C)C)c1cc2CCC(=O)N3CCc(c1)c23

InChI:

InChI=1/C17H24N2O3S/c1-11(2)19(12(3)4)23(21,22)15-9-13-5-6-16(20)18-8-7-14(10-15)17(13)18/h9-12H,5-8H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6749 kcal/mol

Physical Properties
Molecular Weight: 336.456 g/mol	logS: -2.95304	SlogP: 2.32934	Reactive groups: 0

Topological Properties
Globularity: 0.100974	Sterimol/B1: 2.72524	Sterimol/B2: 2.93879	Sterimol/B3: 5.02254
Sterimol/B4: 6.49551	Sterimol/L: 14.0284

Surface and Volume Properties
Accessible surface: 534.705	Positive charged surface: 348.335	Negative charged surface: 186.37	Volume: 318.625
Hydrophobic surface: 378.511	Hydrophilic surface: 156.194

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.