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MMsINC code: MMs00685715

Type: Neutral
Formula: C₂₆H₁₉N₃O₂

SMILES:

O(c1cc(ccc1)C(=O)Nc1ccccc1-c1[nH]c2c(n1)cccc2)c1ccccc1

InChI:

InChI=1/C26H19N3O2/c30-26(18-9-8-12-20(17-18)31-19-10-2-1-3-11-19)29-22-14-5-4-13-21(22)25-27-23-15-6-7-16-24(23)28-25/h1-17H,(H,27,28)(H,29,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.218 kcal/mol

Physical Properties
Molecular Weight: 405.457 g/mol	logS: -8.24294	SlogP: 6.2745	Reactive groups: 0

Topological Properties
Globularity: 0.0729423	Sterimol/B1: 2.26652	Sterimol/B2: 5.72567	Sterimol/B3: 6.10087
Sterimol/B4: 7.99939	Sterimol/L: 17.4916

Surface and Volume Properties
Accessible surface: 670.645	Positive charged surface: 366.313	Negative charged surface: 304.332	Volume: 389.625
Hydrophobic surface: 613.612	Hydrophilic surface: 57.033

Pharmacophoric Properties
Hydrogen bond donors: 3	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.