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MMsINC code: MMs00883338

Type: Neutral
Formula: C₁₉H₂₀N₄O₃

SMILES:

O(Cc1ccccc1)C(=O)NCC(=O)NCCc1[nH]c2c(n1)cccc2

InChI:

InChI=1/C19H20N4O3/c24-18(12-21-19(25)26-13-14-6-2-1-3-7-14)20-11-10-17-22-15-8-4-5-9-16(15)23-17/h1-9H,10-13H2,(H,20,24)(H,21,25)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.3475 kcal/mol

Physical Properties
Molecular Weight: 352.394 g/mol	logS: -3.86129	SlogP: 2.41437	Reactive groups: 0

Topological Properties
Globularity: 0.02602	Sterimol/B1: 2.56586	Sterimol/B2: 3.54328	Sterimol/B3: 3.97902
Sterimol/B4: 6.06326	Sterimol/L: 22.6251

Surface and Volume Properties
Accessible surface: 676.636	Positive charged surface: 430.343	Negative charged surface: 246.293	Volume: 338.375
Hydrophobic surface: 507.705	Hydrophilic surface: 168.931

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.