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MMsINC code: MMs02943169

Type: Neutral
Formula: C₁₅H₂₄N₄O₂S₂

SMILES:

S(=O)(=O)(N)c1ccc(NC(=S)NC2CCN(CC2)CCC)cc1

InChI:

InChI=1/C15H24N4O2S2/c1-2-9-19-10-7-13(8-11-19)18-15(22)17-12-3-5-14(6-4-12)23(16,20)21/h3-6,13H,2,7-11H2,1H3,(H2,16,20,21)(H2,17,18,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.6284 kcal/mol

Physical Properties
Molecular Weight: 356.515 g/mol	logS: -3.85069	SlogP: 1.4948	Reactive groups: 0

Topological Properties
Globularity: 0.0272584	Sterimol/B1: 2.58427	Sterimol/B2: 3.12784	Sterimol/B3: 3.36238
Sterimol/B4: 5.88268	Sterimol/L: 20.1669

Surface and Volume Properties
Accessible surface: 613.46	Positive charged surface: 405.609	Negative charged surface: 207.852	Volume: 325.375
Hydrophobic surface: 376.527	Hydrophilic surface: 236.933

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02943170
PUBCHEM-ZINC02859195