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MMsINC code: MMs00773435

Type: Neutral
Formula: C₂₁H₂₈N₂O₄

SMILES:

OC(=O)c1cc(NC(=O)C2CCCCC2)c(NC(=O)C2CCCCC2)cc1

InChI:

InChI=1/C21H28N2O4/c24-19(14-7-3-1-4-8-14)22-17-12-11-16(21(26)27)13-18(17)23-20(25)15-9-5-2-6-10-15/h11-15H,1-10H2,(H,22,24)(H,23,25)(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.228 kcal/mol

Physical Properties
Molecular Weight: 372.465 g/mol	logS: -5.4675	SlogP: 4.4224	Reactive groups: 0

Topological Properties
Globularity: 0.0633982	Sterimol/B1: 3.56783	Sterimol/B2: 3.91799	Sterimol/B3: 4.39746
Sterimol/B4: 9.32452	Sterimol/L: 15.9832

Surface and Volume Properties
Accessible surface: 658.649	Positive charged surface: 471.288	Negative charged surface: 187.361	Volume: 360.375
Hydrophobic surface: 512.323	Hydrophilic surface: 146.326

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00773436
CHEMBRIDGE-ZINC04616336