MMsINC Database Search


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MMsINC code: MMs02584458

Type: Neutral
Formula: C₂₃H₂₀N₄O₂

SMILES:

O(Cc1ccccc1)c1ccc(cc1OC)\C=N\Nc1ncnc2c1cccc2

InChI:

InChI=1/C23H20N4O2/c1-28-22-13-18(11-12-21(22)29-15-17-7-3-2-4-8-17)14-26-27-23-19-9-5-6-10-20(19)24-16-25-23/h2-14,16H,15H2,1H3,(H,24,25,27)/b26-14+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.442 kcal/mol

Physical Properties
Molecular Weight: 384.439 g/mol	logS: -5.93637	SlogP: 4.9298	Reactive groups: 0

Topological Properties
Globularity: 0.017522	Sterimol/B1: 2.23118	Sterimol/B2: 3.61456	Sterimol/B3: 3.62424
Sterimol/B4: 9.61355	Sterimol/L: 22.5903

Surface and Volume Properties
Accessible surface: 707.821	Positive charged surface: 455.4	Negative charged surface: 246.169	Volume: 375
Hydrophobic surface: 581.091	Hydrophilic surface: 126.73

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.