MMsINC Database Search


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MMsINC code: MMs01815346

Type: Neutral
Formula: C₂₃H₁₈N₄O

SMILES:

O(C)c1ccc(cc1)-c1nc2nc3c(nc2n1-c1cc(ccc1)C)cccc3

InChI:

InChI=1/C23H18N4O/c1-15-6-5-7-17(14-15)27-22(16-10-12-18(28-2)13-11-16)26-21-23(27)25-20-9-4-3-8-19(20)24-21/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=156.64 kcal/mol

Physical Properties
Molecular Weight: 366.424 g/mol	logS: -8.50573	SlogP: 4.95272	Reactive groups: 0

Topological Properties
Globularity: 0.0490735	Sterimol/B1: 2.22033	Sterimol/B2: 2.43528	Sterimol/B3: 5.41784
Sterimol/B4: 9.99218	Sterimol/L: 18.1751

Surface and Volume Properties
Accessible surface: 627.694	Positive charged surface: 392.163	Negative charged surface: 235.531	Volume: 353.625
Hydrophobic surface: 556.262	Hydrophilic surface: 71.432

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: 0

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Ions/Tautomers related molecules: no related molecules available.