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MMsINC code: MMs03652305

Type: Neutral
Formula: C₁₅H₃₀N₂O₃

SMILES:

OC(=O)C(NC(=O)N(CCCC)CCCC)CC(C)C

InChI:

InChI=1/C15H30N2O3/c1-5-7-9-17(10-8-6-2)15(20)16-13(14(18)19)11-12(3)4/h12-13H,5-11H2,1-4H3,(H,16,20)(H,18,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=5.36023 kcal/mol

Physical Properties
Molecular Weight: 286.416 g/mol	logS: -3.142	SlogP: 3.0975	Reactive groups: 0

Topological Properties
Globularity: 0.214273	Sterimol/B1: 2.25904	Sterimol/B2: 4.04906	Sterimol/B3: 5.70167
Sterimol/B4: 10.5224	Sterimol/L: 14.014

Surface and Volume Properties
Accessible surface: 595.671	Positive charged surface: 429.765	Negative charged surface: 165.906	Volume: 312
Hydrophobic surface: 408.801	Hydrophilic surface: 186.87

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs03652306
PUBCHEM-ZINC06273523