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MMsINC code: MMs02860325

Type: Neutral
Formula: C₁₈H₂₄N₂O₄

SMILES:

OC(=O)CCC(NC(=O)c1ccccc1)C(=O)N1CCCCCC1

InChI:

InChI=1/C18H24N2O4/c21-16(22)11-10-15(18(24)20-12-6-1-2-7-13-20)19-17(23)14-8-4-3-5-9-14/h3-5,8-9,15H,1-2,6-7,10-13H2,(H,19,23)(H,21,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.5378 kcal/mol

Physical Properties
Molecular Weight: 332.4 g/mol	logS: -2.63304	SlogP: 2.0524	Reactive groups: 0

Topological Properties
Globularity: 0.100042	Sterimol/B1: 2.63683	Sterimol/B2: 3.74203	Sterimol/B3: 3.92342
Sterimol/B4: 8.87886	Sterimol/L: 15.6095

Surface and Volume Properties
Accessible surface: 582.357	Positive charged surface: 371.495	Negative charged surface: 210.862	Volume: 320
Hydrophobic surface: 437.584	Hydrophilic surface: 144.773

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02860326
PUBCHEM-ZINC02033942