MMsINC Database Search


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MMsINC code: MMs01329023

Type: Neutral
Formula: C₂₆H₂₂N₂O₃

SMILES:

O(C(=O)c1c2c(nc(-c3ccccc3)c1C)cccc2)CC(=O)N(C)c1ccccc1

InChI:

InChI=1/C26H22N2O3/c1-18-24(26(30)31-17-23(29)28(2)20-13-7-4-8-14-20)21-15-9-10-16-22(21)27-25(18)19-11-5-3-6-12-19/h3-16H,17H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.133 kcal/mol

Physical Properties
Molecular Weight: 410.473 g/mol	logS: -6.80124	SlogP: 5.03002	Reactive groups: 0

Topological Properties
Globularity: 0.0716415	Sterimol/B1: 3.14135	Sterimol/B2: 4.52733	Sterimol/B3: 5.06318
Sterimol/B4: 8.39321	Sterimol/L: 19.0492

Surface and Volume Properties
Accessible surface: 717.908	Positive charged surface: 404.206	Negative charged surface: 306.353	Volume: 402.875
Hydrophobic surface: 641.478	Hydrophilic surface: 76.43

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1

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Ions/Tautomers related molecules: no related molecules available.