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MMsINC code: MMs00542616

Type: Neutral
Formula: C₁₉H₂₄N₄O₂

SMILES:

O=[N+]([O-])c1ccc(N2CCN(CC2)C)cc1NC(C)c1ccccc1

InChI:

InChI=1/C19H24N4O2/c1-15(16-6-4-3-5-7-16)20-18-14-17(8-9-19(18)23(24)25)22-12-10-21(2)11-13-22/h3-9,14-15,20H,10-13H2,1-2H3/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=176.537 kcal/mol

Physical Properties
Molecular Weight: 340.427 g/mol	logS: -4.04082	SlogP: 3.6152	Reactive groups: 0

Topological Properties
Globularity: 0.0563567	Sterimol/B1: 2.10052	Sterimol/B2: 3.86645	Sterimol/B3: 5.1197
Sterimol/B4: 7.48269	Sterimol/L: 17.4178

Surface and Volume Properties
Accessible surface: 597.648	Positive charged surface: 389.737	Negative charged surface: 207.912	Volume: 334.625
Hydrophobic surface: 491.714	Hydrophilic surface: 105.934

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00542617
CHEMBLOCK-ZINC04117520