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MMsINC code: MMs00829609

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

OC(=O)C1CCCCC1C(=O)Nc1ccccc1C(=O)N

InChI:

InChI=1/C15H18N2O4/c16-13(18)11-7-3-4-8-12(11)17-14(19)9-5-1-2-6-10(9)15(20)21/h3-4,7-10H,1-2,5-6H2,(H2,16,18)(H,17,19)(H,20,21)/t9-,10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8901 kcal/mol

Physical Properties
Molecular Weight: 290.319 g/mol	logS: -2.93071	SlogP: 1.615	Reactive groups: 0

Topological Properties
Globularity: 0.120416	Sterimol/B1: 2.78134	Sterimol/B2: 3.18946	Sterimol/B3: 4.58655
Sterimol/B4: 5.83593	Sterimol/L: 13.9015

Surface and Volume Properties
Accessible surface: 504.363	Positive charged surface: 328.123	Negative charged surface: 176.241	Volume: 267.5
Hydrophobic surface: 318.996	Hydrophilic surface: 185.367

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00829610
CHEMDIV-ZINC00038602