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MMsINC code: MMs03893650

Type: Neutral
Formula: C₁₈H₂₈N₄O₄

SMILES:

O(CCN(C(=O)CCC(=O)Nc1nccc(c1)C)CC(=O)NC(C)C)C

InChI:

InChI=1/C18H28N4O4/c1-13(2)20-17(24)12-22(9-10-26-4)18(25)6-5-16(23)21-15-11-14(3)7-8-19-15/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,20,24)(H,19,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0319 kcal/mol

Physical Properties
Molecular Weight: 364.446 g/mol	logS: -1.91406	SlogP: 1.10832	Reactive groups: 0

Topological Properties
Globularity: 0.0468189	Sterimol/B1: 2.9582	Sterimol/B2: 3.69113	Sterimol/B3: 4.20841
Sterimol/B4: 8.69085	Sterimol/L: 20.1584

Surface and Volume Properties
Accessible surface: 700.066	Positive charged surface: 536.53	Negative charged surface: 163.536	Volume: 364.25
Hydrophobic surface: 533.716	Hydrophilic surface: 166.35

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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: no related molecules available.