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MMsINC code: MMs01360517

Type: Neutral
Formula: C₂₄H₂₀N₄O₃

SMILES:

O(C(=O)c1cn(nc1-c1cccnc1)-c1ccccc1)C(C(=O)Nc1ccccc1)C

InChI:

InChI=1/C24H20N4O3/c1-17(23(29)26-19-10-4-2-5-11-19)31-24(30)21-16-28(20-12-6-3-7-13-20)27-22(21)18-9-8-14-25-15-18/h2-17H,1H3,(H,26,29)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.684 kcal/mol

Physical Properties
Molecular Weight: 412.449 g/mol	logS: -5.3812	SlogP: 4.1183	Reactive groups: 0

Topological Properties
Globularity: 0.0438131	Sterimol/B1: 2.09637	Sterimol/B2: 5.60055	Sterimol/B3: 6.31667
Sterimol/B4: 8.66165	Sterimol/L: 18.2832

Surface and Volume Properties
Accessible surface: 718.375	Positive charged surface: 408.855	Negative charged surface: 309.52	Volume: 393.25
Hydrophobic surface: 596.62	Hydrophilic surface: 121.755

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: no related molecules available.