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MMsINC code: MMs01874397

Type: Neutral
Formula: C₁₉H₂₈N₂O₅

SMILES:

O(CCCCC)c1ccc(cc1)C(=O)NCCC(=O)NCCCC(O)=O

InChI:

InChI=1/C19H28N2O5/c1-2-3-4-14-26-16-9-7-15(8-10-16)19(25)21-13-11-17(22)20-12-5-6-18(23)24/h7-10H,2-6,11-14H2,1H3,(H,20,22)(H,21,25)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.6568 kcal/mol

Physical Properties
Molecular Weight: 364.442 g/mol	logS: -3.27483	SlogP: 2.3565	Reactive groups: 0

Topological Properties
Globularity: 0.00656393	Sterimol/B1: 2.05225	Sterimol/B2: 2.3751	Sterimol/B3: 2.37565
Sterimol/B4: 8.85074	Sterimol/L: 25.4287

Surface and Volume Properties
Accessible surface: 723.952	Positive charged surface: 510.384	Negative charged surface: 213.568	Volume: 361.375
Hydrophobic surface: 503.284	Hydrophilic surface: 220.668

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs01874398
IBS-ZINC04023582