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MMsINC code: MMs00896473

Type: Neutral
Formula: C₁₉H₂₄N₄O₃

SMILES:

O=C1N=C2N(N(c3c2cccc3)CC(=O)NCCCOC(C)C)C(=C1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.128 kcal/mol

Physical Properties
Molecular Weight: 356.426 g/mol	logS: -3.7573	SlogP: 1.8455	Reactive groups: 0

Topological Properties
Globularity: 0.0392961	Sterimol/B1: 2.82602	Sterimol/B2: 2.84744	Sterimol/B3: 4.16159
Sterimol/B4: 8.99669	Sterimol/L: 18.2578

Surface and Volume Properties
Accessible surface: 647.803	Positive charged surface: 415.871	Negative charged surface: 231.932	Volume: 346.5
Hydrophobic surface: 477.866	Hydrophilic surface: 169.937

Pharmacophoric Properties
Hydrogen bond donors: 1	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.