MMsINC Database Search


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MMsINC code: MMs00398909

Type: Neutral
Formula: C₁₉H₂₄N₆O

SMILES:

O1CCN(CC1)c1nc(nc2n(nnc12)Cc1ccccc1)CCCC

InChI:

InChI=1/C19H24N6O/c1-2-3-9-16-20-18(24-10-12-26-13-11-24)17-19(21-16)25(23-22-17)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.666 kcal/mol

Physical Properties
Molecular Weight: 352.442 g/mol	logS: -4.24058	SlogP: 2.71517	Reactive groups: 0

Topological Properties
Globularity: 0.111743	Sterimol/B1: 2.39424	Sterimol/B2: 3.57603	Sterimol/B3: 4.47106
Sterimol/B4: 12.2088	Sterimol/L: 14.8725

Surface and Volume Properties
Accessible surface: 645.782	Positive charged surface: 467.319	Negative charged surface: 178.463	Volume: 349.125
Hydrophobic surface: 525.19	Hydrophilic surface: 120.592

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