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MMsINC code: MMs02102826

Type: Neutral
Formula: C₁₉H₁₉N₅O₂

SMILES:

O1CCN(CC1)c1nn(cc1-c1ncccc1)C(=O)Nc1ccccc1

InChI:

InChI=1/C19H19N5O2/c25-19(21-15-6-2-1-3-7-15)24-14-16(17-8-4-5-9-20-17)18(22-24)23-10-12-26-13-11-23/h1-9,14H,10-13H2,(H,21,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.761 kcal/mol

Physical Properties
Molecular Weight: 349.394 g/mol	logS: -3.43451	SlogP: 2.8619	Reactive groups: 0

Topological Properties
Globularity: 0.0509142	Sterimol/B1: 3.62092	Sterimol/B2: 3.62913	Sterimol/B3: 5.88324
Sterimol/B4: 6.16343	Sterimol/L: 17.1408

Surface and Volume Properties
Accessible surface: 610.843	Positive charged surface: 412.049	Negative charged surface: 198.794	Volume: 329.875
Hydrophobic surface: 510.509	Hydrophilic surface: 100.334

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.