MMsINC Database Search


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MMsINC code: MMs01163371

Type: Neutral
Formula: C₁₉H₂₄N₄O₂

SMILES:

O(C)c1ccc(cc1)C(=O)N1Cc2c(nc(nc2N(CC)C)C)CC1

InChI:

InChI=1/C19H24N4O2/c1-5-22(3)18-16-12-23(11-10-17(16)20-13(2)21-18)19(24)14-6-8-15(25-4)9-7-14/h6-9H,5,10-12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.393 kcal/mol

Physical Properties
Molecular Weight: 340.427 g/mol	logS: -3.04112	SlogP: 2.71459	Reactive groups: 0

Topological Properties
Globularity: 0.146609	Sterimol/B1: 2.27589	Sterimol/B2: 2.337	Sterimol/B3: 5.55161
Sterimol/B4: 9.61487	Sterimol/L: 15.3381

Surface and Volume Properties
Accessible surface: 595.017	Positive charged surface: 443.502	Negative charged surface: 151.515	Volume: 337
Hydrophobic surface: 505.382	Hydrophilic surface: 89.635

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.