MMsINC Database Search


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MMsINC code: MMs00688408

Type: Neutral
Formula: C₂₃H₂₀N₄O₂

SMILES:

O=C(Nc1nc2c(n1C)cccc2)c1ccccc1NC(=O)c1ccc(cc1)C

InChI:

InChI=1/C23H20N4O2/c1-15-11-13-16(14-12-15)21(28)24-18-8-4-3-7-17(18)22(29)26-23-25-19-9-5-6-10-20(19)27(23)2/h3-14H,1-2H3,(H,24,28)(H,25,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.499 kcal/mol

Physical Properties
Molecular Weight: 384.439 g/mol	logS: -6.71423	SlogP: 4.74552	Reactive groups: 0

Topological Properties
Globularity: 0.0119875	Sterimol/B1: 2.48016	Sterimol/B2: 2.911	Sterimol/B3: 3.05201
Sterimol/B4: 11.0003	Sterimol/L: 16.7158

Surface and Volume Properties
Accessible surface: 675.006	Positive charged surface: 394.642	Negative charged surface: 280.364	Volume: 369.875
Hydrophobic surface: 593.389	Hydrophilic surface: 81.617

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.