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MMsINC code: MMs02028670

Type: Neutral
Formula: C₂₆H₂₆N₄O

SMILES:

Oc1c2ncccc2ccc1C(N1CCN(CC1)Cc1ccccc1)c1ncccc1

InChI:

InChI=1/C26H26N4O/c31-26-22(12-11-21-9-6-14-28-24(21)26)25(23-10-4-5-13-27-23)30-17-15-29(16-18-30)19-20-7-2-1-3-8-20/h1-14,25,31H,15-19H2/t25-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=164.209 kcal/mol

Physical Properties
Molecular Weight: 410.521 g/mol	logS: -3.96023	SlogP: 4.6045	Reactive groups: 0

Topological Properties
Globularity: 0.0848345	Sterimol/B1: 3.19523	Sterimol/B2: 4.5603	Sterimol/B3: 4.78192
Sterimol/B4: 7.08092	Sterimol/L: 18.9129

Surface and Volume Properties
Accessible surface: 698.015	Positive charged surface: 470.707	Negative charged surface: 221.052	Volume: 409.25
Hydrophobic surface: 641.11	Hydrophilic surface: 56.905

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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: 0

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Ions/Tautomers related molecules

MMs02028671
IFLAB-ZINC04247750