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MMsINC code: MMs01752573

Type: Neutral
Formula: C₁₄H₂₆N₂O₃

SMILES:

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

InChI:

InChI=1/C14H26N2O3/c1-9(2)8-12(13(17)18)16-14(19)15-11-7-5-4-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-,11-,12+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=6.99566 kcal/mol

Physical Properties
Molecular Weight: 270.373 g/mol	logS: -2.8325	SlogP: 2.3636	Reactive groups: 1

Topological Properties
Globularity: 0.100526	Sterimol/B1: 2.72134	Sterimol/B2: 3.03079	Sterimol/B3: 4.65423
Sterimol/B4: 6.30368	Sterimol/L: 14.6819

Surface and Volume Properties
Accessible surface: 537.317	Positive charged surface: 385.224	Negative charged surface: 152.092	Volume: 278.5
Hydrophobic surface: 349.839	Hydrophilic surface: 187.478

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

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

MMs01752574
IBS-ZINC00546287