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MMsINC code: MMs00829621

Type: Neutral
Formula: C₁₅H₁₈N₂O₄

SMILES:

OC(=O)C1CCCCC1C(=O)Nc1ccc(cc1)C(=O)N

InChI:

InChI=1/C15H18N2O4/c16-13(18)9-5-7-10(8-6-9)17-14(19)11-3-1-2-4-12(11)15(20)21/h5-8,11-12H,1-4H2,(H2,16,18)(H,17,19)(H,20,21)/t11-,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.4792 kcal/mol

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

Topological Properties
Globularity: 0.0817032	Sterimol/B1: 3.61598	Sterimol/B2: 3.96763	Sterimol/B3: 3.99477
Sterimol/B4: 5.84461	Sterimol/L: 14.6285

Surface and Volume Properties
Accessible surface: 502.194	Positive charged surface: 326.093	Negative charged surface: 176.101	Volume: 264.75
Hydrophobic surface: 302.216	Hydrophilic surface: 199.978

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

MMs00829622
CHEMDIV-ZINC00038613