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MMsINC code: MMs03786430

Type: Neutral
Formula: C₁₉H₂₄N₄O₃

SMILES:

O(CCC(O)CCOc1ccc(cc1)C(N)=N)c1ccc(cc1)C(N)=N

InChI:

InChI=1/C19H24N4O3/c20-18(21)13-1-5-16(6-2-13)25-11-9-15(24)10-12-26-17-7-3-14(4-8-17)19(22)23/h1-8,15,24H,9-12H2,(H3,20,21)(H3,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.4046 kcal/mol

Physical Properties
Molecular Weight: 356.426 g/mol	logS: -4.38674	SlogP: 1.85364	Reactive groups: 0

Topological Properties
Globularity: 0.00799365	Sterimol/B1: 2.14151	Sterimol/B2: 3.20506	Sterimol/B3: 3.7126
Sterimol/B4: 5.40651	Sterimol/L: 23.2202

Surface and Volume Properties
Accessible surface: 658.956	Positive charged surface: 418.742	Negative charged surface: 240.214	Volume: 344.875
Hydrophobic surface: 386.307	Hydrophilic surface: 272.649

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs03786431
PUBCHEM-ZINC06535287