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MMsINC code: MMs03033269

Type: Neutral
Formula: C₁₉H₂₆N₄O₂

SMILES:

O=C(N)c1c(C)c([nH]c1NC(=O)CN(CC)CC)Cc1ccccc1

InChI:

InChI=1/C19H26N4O2/c1-4-23(5-2)12-16(24)22-19-17(18(20)25)13(3)15(21-19)11-14-9-7-6-8-10-14/h6-10,21H,4-5,11-12H2,1-3H3,(H2,20,25)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.9098 kcal/mol

Physical Properties
Molecular Weight: 342.443 g/mol	logS: -3.2622	SlogP: 2.29309	Reactive groups: 0

Topological Properties
Globularity: 0.112568	Sterimol/B1: 2.02718	Sterimol/B2: 4.92882	Sterimol/B3: 6.67921
Sterimol/B4: 7.7144	Sterimol/L: 15.7307

Surface and Volume Properties
Accessible surface: 640.754	Positive charged surface: 423.168	Negative charged surface: 217.586	Volume: 348.625
Hydrophobic surface: 458.366	Hydrophilic surface: 182.388

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs03033270
PUBCHEM-ZINC03647682