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MMsINC code: MMs01930369

Type: Neutral
Formula: C₂₁H₂₄N₄O₂

SMILES:

O(CCN1CCn2c(nc3cc(NC(=O)c4ccc(cc4)C)ccc23)C1)C

InChI:

InChI=1/C21H24N4O2/c1-15-3-5-16(6-4-15)21(26)22-17-7-8-19-18(13-17)23-20-14-24(11-12-27-2)9-10-25(19)20/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.236 kcal/mol

Physical Properties
Molecular Weight: 364.449 g/mol	logS: -4.13725	SlogP: 3.59182	Reactive groups: 0

Topological Properties
Globularity: 0.023889	Sterimol/B1: 3.42784	Sterimol/B2: 4.12803	Sterimol/B3: 4.13771
Sterimol/B4: 5.68447	Sterimol/L: 20.6894

Surface and Volume Properties
Accessible surface: 666.53	Positive charged surface: 475.218	Negative charged surface: 191.312	Volume: 360
Hydrophobic surface: 590.175	Hydrophilic surface: 76.355

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01930370
IBS-ZINC05207213