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MMsINC code: MMs02169732

Type: Neutral
Formula: C₁₇H₂₆N₂O₄

SMILES:

O(Cc1ccccc1)C(C(NC(OC(C)(C)C)=O)C(=O)NC)C

InChI:

InChI=1/C17H26N2O4/c1-12(22-11-13-9-7-6-8-10-13)14(15(20)18-5)19-16(21)23-17(2,3)4/h6-10,12,14H,11H2,1-5H3,(H,18,20)(H,19,21)/t12-,14+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1798 kcal/mol

Physical Properties
Molecular Weight: 322.405 g/mol	logS: -3.23188	SlogP: 2.4974	Reactive groups: 0

Topological Properties
Globularity: 0.168633	Sterimol/B1: 2.18146	Sterimol/B2: 4.76637	Sterimol/B3: 6.71428
Sterimol/B4: 7.0106	Sterimol/L: 15.4175

Surface and Volume Properties
Accessible surface: 613.925	Positive charged surface: 417.611	Negative charged surface: 196.314	Volume: 326.75
Hydrophobic surface: 470.025	Hydrophilic surface: 143.9

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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: no related molecules available.