MMsINC Database Search


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MMsINC code: MMs00352296

Type: Neutral
Formula: C₁₆H₂₀N₂O₄

SMILES:

OC(=O)CCC(=O)Nc1cc(ccc1)C(=O)N1CCCCC1

InChI:

InChI=1/C16H20N2O4/c19-14(7-8-15(20)21)17-13-6-4-5-12(11-13)16(22)18-9-2-1-3-10-18/h4-6,11H,1-3,7-10H2,(H,17,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0403 kcal/mol

Physical Properties
Molecular Weight: 304.346 g/mol	logS: -2.14094	SlogP: 2.116	Reactive groups: 0

Topological Properties
Globularity: 0.0524588	Sterimol/B1: 2.48702	Sterimol/B2: 2.85928	Sterimol/B3: 4.04263
Sterimol/B4: 7.46244	Sterimol/L: 17.0311

Surface and Volume Properties
Accessible surface: 557.34	Positive charged surface: 382.557	Negative charged surface: 174.782	Volume: 287.125
Hydrophobic surface: 381.826	Hydrophilic surface: 175.514

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00352297
ASINEX-ZINC04559521