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MMsINC code: MMs01528299

Type: Neutral
Formula: C₁₅H₂₆N₄O₂S

SMILES:

S(=O)(=O)(N(CC)CC)c1cc(N)c(N2CCN(CC2)C)cc1

InChI:

InChI=1/C15H26N4O2S/c1-4-19(5-2)22(20,21)13-6-7-15(14(16)12-13)18-10-8-17(3)9-11-18/h6-7,12H,4-5,8-11,16H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.432 kcal/mol

Physical Properties
Molecular Weight: 326.465 g/mol	logS: -1.64788	SlogP: 1.0511	Reactive groups: 0

Topological Properties
Globularity: 0.0905517	Sterimol/B1: 2.51687	Sterimol/B2: 2.88671	Sterimol/B3: 5.46185
Sterimol/B4: 5.9571	Sterimol/L: 16.5727

Surface and Volume Properties
Accessible surface: 563.747	Positive charged surface: 431.158	Negative charged surface: 132.589	Volume: 316.875
Hydrophobic surface: 406.656	Hydrophilic surface: 157.091

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01528300
ENAMINE-ZINC03886991