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MMsINC code: MMs00971552

Type: Neutral
Formula: C₂₀H₂₄N₄O₂

SMILES:

O=C1N(c2c(-c3n(C)c(cc13)C(=O)N1CCN(CC1)CC)cccc2)C

InChI:

InChI=1/C20H24N4O2/c1-4-23-9-11-24(12-10-23)20(26)17-13-15-18(21(17)2)14-7-5-6-8-16(14)22(3)19(15)25/h5-8,13H,4,9-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.403 kcal/mol

Physical Properties
Molecular Weight: 352.438 g/mol	logS: -2.90279	SlogP: 2.419	Reactive groups: 0

Topological Properties
Globularity: 0.0522417	Sterimol/B1: 2.60308	Sterimol/B2: 3.10556	Sterimol/B3: 4.53351
Sterimol/B4: 7.07017	Sterimol/L: 16.9816

Surface and Volume Properties
Accessible surface: 601.266	Positive charged surface: 437.897	Negative charged surface: 163.37	Volume: 344.375
Hydrophobic surface: 496.242	Hydrophilic surface: 105.024

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs00971553
CHEMDIV-ZINC04938744