MMsINC Database Search


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MMsINC code: MMs02947476

Type: Neutral
Formula: C₂₃H₁₈N₄O₂

SMILES:

O=C(Nc1cc(ccc1)-c1nc2c(nc1)cccc2)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C23H18N4O2/c1-15(28)25-18-11-9-16(10-12-18)23(29)26-19-6-4-5-17(13-19)22-14-24-20-7-2-3-8-21(20)27-22/h2-14H,1H3,(H,25,28)(H,26,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.955 kcal/mol

Physical Properties
Molecular Weight: 382.423 g/mol	logS: -5.2587	SlogP: 4.5075	Reactive groups: 0

Topological Properties
Globularity: 0.0133794	Sterimol/B1: 2.75522	Sterimol/B2: 3.67366	Sterimol/B3: 4.94579
Sterimol/B4: 7.7395	Sterimol/L: 20.4652

Surface and Volume Properties
Accessible surface: 665.306	Positive charged surface: 381.526	Negative charged surface: 278.487	Volume: 362
Hydrophobic surface: 534.579	Hydrophilic surface: 130.727

Pharmacophoric Properties
Hydrogen bond donors: 2	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.