MMsINC Database Search


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MMsINC code: MMs01814191

Type: Neutral
Formula: C₂₃H₁₈N₄O

SMILES:

O(C)c1ccc(cc1)Cn1c2nc3c(nc2nc1-c1ccccc1)cccc3

InChI:

InChI=1/C23H18N4O/c1-28-18-13-11-16(12-14-18)15-27-22(17-7-3-2-4-8-17)26-21-23(27)25-20-10-6-5-9-19(20)24-21/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.44 kcal/mol

Physical Properties
Molecular Weight: 366.424 g/mol	logS: -7.97585	SlogP: 4.9698	Reactive groups: 0

Topological Properties
Globularity: 0.115433	Sterimol/B1: 2.25717	Sterimol/B2: 2.78021	Sterimol/B3: 4.90954
Sterimol/B4: 10.8395	Sterimol/L: 15.6412

Surface and Volume Properties
Accessible surface: 615.907	Positive charged surface: 383.968	Negative charged surface: 231.94	Volume: 356.625
Hydrophobic surface: 533.443	Hydrophilic surface: 82.464

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.