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MMsINC code: MMs01156742

Type: Neutral
Formula: C₁₉H₂₃N₃O₃S

SMILES:

s1cccc1C(=O)Nc1cc(C(=O)NCCOC)c(N2CCCC2)cc1

InChI:

InChI=1/C19H23N3O3S/c1-25-11-8-20-18(23)15-13-14(21-19(24)17-5-4-12-26-17)6-7-16(15)22-9-2-3-10-22/h4-7,12-13H,2-3,8-11H2,1H3,(H,20,23)(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.185 kcal/mol

Physical Properties
Molecular Weight: 373.477 g/mol	logS: -3.9301	SlogP: 2.9768	Reactive groups: 0

Topological Properties
Globularity: 0.0552788	Sterimol/B1: 2.31479	Sterimol/B2: 2.72677	Sterimol/B3: 4.18973
Sterimol/B4: 12.1896	Sterimol/L: 16.3092

Surface and Volume Properties
Accessible surface: 652.359	Positive charged surface: 451.539	Negative charged surface: 200.82	Volume: 352
Hydrophobic surface: 561.845	Hydrophilic surface: 90.514

Pharmacophoric Properties
Hydrogen bond donors: 2	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.