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MMsINC code: MMs02284473

Type: Neutral
Formula: C₁₅H₂₅N₃O₆

SMILES:

O(C(C)(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(C(O)=O)C

InChI:

InChI=1/C15H25N3O6/c1-9(13(21)22)17-12(20)10-6-5-7-18(10)11(19)8-16-14(23)24-15(2,3)4/h9-10H,5-8H2,1-4H3,(H,16,23)(H,17,20)(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)=63.8417 kcal/mol

Physical Properties
Molecular Weight: 343.38 g/mol	logS: -1.93614	SlogP: 0.0914	Reactive groups: 0

Topological Properties
Globularity: 0.0504014	Sterimol/B1: 2.12037	Sterimol/B2: 3.69861	Sterimol/B3: 5.02386
Sterimol/B4: 7.15443	Sterimol/L: 17.7243

Surface and Volume Properties
Accessible surface: 623.647	Positive charged surface: 435.461	Negative charged surface: 188.185	Volume: 322.125
Hydrophobic surface: 355.397	Hydrophilic surface: 268.25

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

MMs02284474
NCID-ZINC01642775