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MMsINC code: MMs00841470

Type: Neutral
Formula: C₁₈H₂₆N₄O₂

SMILES:

O=C(NCC(=O)N1CCN(CC1)c1ncccc1)C1CCCCC1

InChI:

InChI=1/C18H26N4O2/c23-17(14-20-18(24)15-6-2-1-3-7-15)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h4-5,8-9,15H,1-3,6-7,10-14H2,(H,20,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.512 kcal/mol

Physical Properties
Molecular Weight: 330.432 g/mol	logS: -2.60792	SlogP: 1.4267	Reactive groups: 0

Topological Properties
Globularity: 0.0358871	Sterimol/B1: 2.37305	Sterimol/B2: 3.74011	Sterimol/B3: 3.86853
Sterimol/B4: 5.74041	Sterimol/L: 20.0727

Surface and Volume Properties
Accessible surface: 609.546	Positive charged surface: 471.325	Negative charged surface: 138.222	Volume: 329.75
Hydrophobic surface: 515.865	Hydrophilic surface: 93.681

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.