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MMsINC code: MMs02952594

Type: Neutral
Formula: C₁₇H₂₆N₄O₃S₂

SMILES:

S(=O)(=O)(N1CCN(CC1)C)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1

InChI:

InChI=1/C17H26N4O3S2/c1-17(2,3)15(22)19-16(25)18-13-5-7-14(8-6-13)26(23,24)21-11-9-20(4)10-12-21/h5-8H,9-12H2,1-4H3,(H2,18,19,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.976 kcal/mol

Physical Properties
Molecular Weight: 398.552 g/mol	logS: -3.62342	SlogP: 1.4818	Reactive groups: 0

Topological Properties
Globularity: 0.0375817	Sterimol/B1: 2.72652	Sterimol/B2: 3.65425	Sterimol/B3: 4.35251
Sterimol/B4: 5.3283	Sterimol/L: 20.5217

Surface and Volume Properties
Accessible surface: 653.555	Positive charged surface: 444.114	Negative charged surface: 209.442	Volume: 364.25
Hydrophobic surface: 449.615	Hydrophilic surface: 203.94

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02952595
PUBCHEM-ZINC02881777