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MMsINC code: MMs03807504

Type: Neutral
Formula: C₁₉H₂₀N₂O₄

SMILES:

OC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1

InChI:

InChI=1/C19H20N2O4/c22-17(20-14-8-2-1-3-9-14)12-6-7-13-18(23)21-16-11-5-4-10-15(16)19(24)25/h1-5,8-11H,6-7,12-13H2,(H,20,22)(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2654 kcal/mol

Physical Properties
Molecular Weight: 340.379 g/mol	logS: -3.72018	SlogP: 3.5224	Reactive groups: 0

Topological Properties
Globularity: 0.00953373	Sterimol/B1: 2.79411	Sterimol/B2: 3.03701	Sterimol/B3: 4.30067
Sterimol/B4: 5.52673	Sterimol/L: 20.8452

Surface and Volume Properties
Accessible surface: 630.773	Positive charged surface: 394.77	Negative charged surface: 236.003	Volume: 327.375
Hydrophobic surface: 470.769	Hydrophilic surface: 160.004

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

MMs03807505
PUBCHEM-ZINC06581259