MMsINC Database Search


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MMsINC code: MMs01812835

Type: Neutral
Formula: C₁₉H₂₂N₄O₂

SMILES:

O1Cc2c(nc3oc4c(ncnc4N4CCCCC4)c3c2)CC1(C)C

InChI:

InChI=1/C19H22N4O2/c1-19(2)9-14-12(10-24-19)8-13-15-16(25-18(13)22-14)17(21-11-20-15)23-6-4-3-5-7-23/h8,11H,3-7,9-10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.951 kcal/mol

Physical Properties
Molecular Weight: 338.411 g/mol	logS: -5.15514	SlogP: 3.87897	Reactive groups: 0

Topological Properties
Globularity: 0.0342909	Sterimol/B1: 2.17239	Sterimol/B2: 4.21603	Sterimol/B3: 4.51447
Sterimol/B4: 5.99751	Sterimol/L: 17.4946

Surface and Volume Properties
Accessible surface: 575.813	Positive charged surface: 442.458	Negative charged surface: 127.987	Volume: 321.5
Hydrophobic surface: 406.047	Hydrophilic surface: 169.766

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.