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MMsINC code: MMs00013349

Type: Neutral
Formula: C₁₇H₂₆N₂O₄

SMILES:

O(C(C)(C)C)C(=O)NN(Cc1ccccc1)C(C(C)C)C(O)=O

InChI:

InChI=1/C17H26N2O4/c1-12(2)14(15(20)21)19(11-13-9-7-6-8-10-13)18-16(22)23-17(3,4)5/h6-10,12,14H,11H2,1-5H3,(H,18,22)(H,20,21)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3757 kcal/mol

Physical Properties
Molecular Weight: 322.405 g/mol	logS: -3.08892	SlogP: 3.3039	Reactive groups: 0

Topological Properties
Globularity: 0.222471	Sterimol/B1: 3.63049	Sterimol/B2: 4.29274	Sterimol/B3: 4.76845
Sterimol/B4: 5.81653	Sterimol/L: 12.5035

Surface and Volume Properties
Accessible surface: 537.072	Positive charged surface: 353.343	Negative charged surface: 183.729	Volume: 323
Hydrophobic surface: 364.007	Hydrophilic surface: 173.065

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

MMs00013350
ACROSORGANICS-ZINC02379280