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MMsINC code: MMs00487868

Type: Neutral
Formula: C₁₉H₂₄N₄O₂

SMILES:

O=C(Nc1c(cccc1C)C)C1(NC(=O)c2n[nH]cc2)CCCCC1

InChI:

InChI=1/C19H24N4O2/c1-13-7-6-8-14(2)16(13)21-18(25)19(10-4-3-5-11-19)22-17(24)15-9-12-20-23-15/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.45 kcal/mol

Physical Properties
Molecular Weight: 340.427 g/mol	logS: -3.90848	SlogP: 3.09794	Reactive groups: 0

Topological Properties
Globularity: 0.115801	Sterimol/B1: 2.86795	Sterimol/B2: 3.05513	Sterimol/B3: 4.01548
Sterimol/B4: 9.46342	Sterimol/L: 13.7022

Surface and Volume Properties
Accessible surface: 566.833	Positive charged surface: 363.188	Negative charged surface: 203.645	Volume: 334.25
Hydrophobic surface: 447.959	Hydrophilic surface: 118.874

Pharmacophoric Properties
Hydrogen bond donors: 4	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.