MMsINC Database Search


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MMsINC code: MMs01947138

Type: Neutral
Formula: C₂₃H₂₀N₄O₂

SMILES:

O(c1ccc(cc1)C(=O)C)c1nc(nc(c1)-c1ccccc1)-n1nc(cc1C)C

InChI:

InChI=1/C23H20N4O2/c1-15-13-16(2)27(26-15)23-24-21(19-7-5-4-6-8-19)14-22(25-23)29-20-11-9-18(10-12-20)17(3)28/h4-14H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.103 kcal/mol

Physical Properties
Molecular Weight: 384.439 g/mol	logS: -6.47159	SlogP: 4.94104	Reactive groups: 0

Topological Properties
Globularity: 0.0514111	Sterimol/B1: 2.23875	Sterimol/B2: 3.48883	Sterimol/B3: 3.88346
Sterimol/B4: 11.8357	Sterimol/L: 17.8674

Surface and Volume Properties
Accessible surface: 662.555	Positive charged surface: 366.505	Negative charged surface: 290.631	Volume: 374.25
Hydrophobic surface: 571.941	Hydrophilic surface: 90.614

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.