MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02609656

Type: Neutral
Formula: C₁₅H₂₀N₄O₂S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(N(C)c2nc(cc(n2)C)C)cc1

InChI:

InChI=1/C15H20N4O2S/c1-11-10-12(2)17-15(16-11)19(5)13-6-8-14(9-7-13)22(20,21)18(3)4/h6-10H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.8392 kcal/mol

Physical Properties
Molecular Weight: 320.417 g/mol	logS: -3.18109	SlogP: 2.11164	Reactive groups: 0

Topological Properties
Globularity: 0.0655736	Sterimol/B1: 1.97796	Sterimol/B2: 3.49736	Sterimol/B3: 3.93139
Sterimol/B4: 7.81233	Sterimol/L: 16.4552

Surface and Volume Properties
Accessible surface: 574.164	Positive charged surface: 413.785	Negative charged surface: 160.379	Volume: 304.125
Hydrophobic surface: 504.912	Hydrophilic surface: 69.252

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.