MMsINC Database Search


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MMsINC code: MMs01929428

Type: Neutral
Formula: C₁₉H₂₀N₄O₂

SMILES:

O=C1N(C=Nc2c1cccc2)CCCCCC(=O)Nc1ncccc1

InChI:

InChI=1/C19H20N4O2/c24-18(22-17-10-5-6-12-20-17)11-2-1-7-13-23-14-21-16-9-4-3-8-15(16)19(23)25/h3-6,8-10,12,14H,1-2,7,11,13H2,(H,20,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.587 kcal/mol

Physical Properties
Molecular Weight: 336.395 g/mol	logS: -3.51852	SlogP: 3.3963	Reactive groups: 0

Topological Properties
Globularity: 0.0342391	Sterimol/B1: 2.88217	Sterimol/B2: 3.02073	Sterimol/B3: 4.73482
Sterimol/B4: 5.7742	Sterimol/L: 21.211

Surface and Volume Properties
Accessible surface: 634.518	Positive charged surface: 428.753	Negative charged surface: 205.766	Volume: 328.25
Hydrophobic surface: 509.571	Hydrophilic surface: 124.947

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.