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MMsINC code: MMs01036826

Type: Neutral
Formula: C₂₀H₂₆N₄O

SMILES:

O=C1N(C=Nc2c1[nH]c1c2cccc1)CCCN(C)C1CCCCC1

InChI:

InChI=1/C20H26N4O/c1-23(15-8-3-2-4-9-15)12-7-13-24-14-21-18-16-10-5-6-11-17(16)22-19(18)20(24)25/h5-6,10-11,14-15,22H,2-4,7-9,12-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.8529 kcal/mol

Physical Properties
Molecular Weight: 338.455 g/mol	logS: -3.99536	SlogP: 3.9381	Reactive groups: 0

Topological Properties
Globularity: 0.0437027	Sterimol/B1: 2.32403	Sterimol/B2: 3.164	Sterimol/B3: 4.83907
Sterimol/B4: 5.13972	Sterimol/L: 20.3516

Surface and Volume Properties
Accessible surface: 616.781	Positive charged surface: 443.463	Negative charged surface: 168.109	Volume: 342.25
Hydrophobic surface: 516.379	Hydrophilic surface: 100.402

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

MMs01036827
CHEMDIV-ZINC06809310