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MMsINC code: MMs02905808

Type: Neutral
Formula: C₁₉H₂₆N₄O₂

SMILES:

O=C1NN=C(c2c1cccc2)CC(=O)NCCCN1CCCCCC1

InChI:

InChI=1/C19H26N4O2/c24-18(20-10-7-13-23-11-5-1-2-6-12-23)14-17-15-8-3-4-9-16(15)19(25)22-21-17/h3-4,8-9H,1-2,5-7,10-14H2,(H,20,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.6297 kcal/mol

Physical Properties
Molecular Weight: 342.443 g/mol	logS: -3.30152	SlogP: 1.9065	Reactive groups: 0

Topological Properties
Globularity: 0.0187435	Sterimol/B1: 2.55764	Sterimol/B2: 3.15321	Sterimol/B3: 3.49855
Sterimol/B4: 7.03643	Sterimol/L: 20.087

Surface and Volume Properties
Accessible surface: 624.903	Positive charged surface: 457.243	Negative charged surface: 167.66	Volume: 338.875
Hydrophobic surface: 486.552	Hydrophilic surface: 138.351

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02905809
PUBCHEM-ZINC02604761