MMsINC Database Search


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MMsINC code: MMs01905492

Type: Neutral
Formula: C₁₉H₂₄N₄O₃

SMILES:

O(C)c1cc(OC)c(OC)cc1\C=N\N1CCN(CC1)c1ncccc1

InChI:

InChI=1/C19H24N4O3/c1-24-16-13-18(26-3)17(25-2)12-15(16)14-21-23-10-8-22(9-11-23)19-6-4-5-7-20-19/h4-7,12-14H,8-11H2,1-3H3/b21-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=183.246 kcal/mol

Physical Properties
Molecular Weight: 356.426 g/mol	logS: -2.33348	SlogP: 2.2635	Reactive groups: 0

Topological Properties
Globularity: 0.033672	Sterimol/B1: 2.26076	Sterimol/B2: 3.50548	Sterimol/B3: 3.59231
Sterimol/B4: 9.22147	Sterimol/L: 19.4699

Surface and Volume Properties
Accessible surface: 644.138	Positive charged surface: 544.967	Negative charged surface: 99.1718	Volume: 348.125
Hydrophobic surface: 585.817	Hydrophilic surface: 58.321

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.