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MMsINC code: MMs00485022

Type: Neutral
Formula: C₁₅H₂₅N₃O₆

SMILES:

O(C(C)(C)C)C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(O)=O

InChI:

InChI=1/C15H25N3O6/c1-15(2,3)24-14(23)17-9(6-7-11(16)19)12(20)18-8-4-5-10(18)13(21)22/h9-10H,4-8H2,1-3H3,(H2,16,19)(H,17,23)(H,21,22)/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.891 kcal/mol

Physical Properties
Molecular Weight: 343.38 g/mol	logS: -1.79861	SlogP: 0.2208	Reactive groups: 0

Topological Properties
Globularity: 0.105653	Sterimol/B1: 2.67907	Sterimol/B2: 2.89497	Sterimol/B3: 5.62401
Sterimol/B4: 8.00798	Sterimol/L: 15.3055

Surface and Volume Properties
Accessible surface: 588.659	Positive charged surface: 408.825	Negative charged surface: 179.834	Volume: 316.75
Hydrophobic surface: 293.412	Hydrophilic surface: 295.247

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs00485023
BACHEM-ZINC04899553