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MMsINC code: MMs03439235

Type: Neutral
Formula: C₁₄H₂₆N₂O₃

SMILES:

OC(=O)C(NC(=O)NC1CCCCC1C)C(CC)C

InChI:

InChI=1/C14H26N2O3/c1-4-9(2)12(13(17)18)16-14(19)15-11-8-6-5-7-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t9-,10-,11-,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=8.91877 kcal/mol

Physical Properties
Molecular Weight: 270.373 g/mol	logS: -2.51905	SlogP: 2.3636	Reactive groups: 1

Topological Properties
Globularity: 0.105123	Sterimol/B1: 2.55073	Sterimol/B2: 2.84861	Sterimol/B3: 4.73816
Sterimol/B4: 6.64273	Sterimol/L: 14.7065

Surface and Volume Properties
Accessible surface: 529.391	Positive charged surface: 377.441	Negative charged surface: 151.95	Volume: 278.25
Hydrophobic surface: 356.702	Hydrophilic surface: 172.689

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 4

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

MMs03439236
PUBCHEM-ZINC05907368