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MMsINC code: MMs01185025

Type: Neutral
Formula: C₁₈H₂₆N₄O₂

SMILES:

O(CCN(Cc1nccn1Cc1cc(ccc1)C)C(=O)NCC)C

InChI:

InChI=1/C18H26N4O2/c1-4-19-18(23)22(10-11-24-3)14-17-20-8-9-21(17)13-16-7-5-6-15(2)12-16/h5-9,12H,4,10-11,13-14H2,1-3H3,(H,19,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.7241 kcal/mol

Physical Properties
Molecular Weight: 330.432 g/mol	logS: -2.30796	SlogP: 2.95052	Reactive groups: 0

Topological Properties
Globularity: 0.209556	Sterimol/B1: 2.35161	Sterimol/B2: 4.73647	Sterimol/B3: 6.22257
Sterimol/B4: 7.86949	Sterimol/L: 14.5822

Surface and Volume Properties
Accessible surface: 601.444	Positive charged surface: 457.127	Negative charged surface: 144.317	Volume: 339.75
Hydrophobic surface: 518.289	Hydrophilic surface: 83.155

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.