MMsINC Database Search


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MMsINC code: MMs00694851

Type: Neutral
Formula: C₂₆H₂₀N₂O₂

SMILES:

O=C(Nc1ccc(cc1)-c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1

InChI:

InChI=1/C26H20N2O2/c29-25(21-7-3-1-4-8-21)27-23-15-11-19(12-16-23)20-13-17-24(18-14-20)28-26(30)22-9-5-2-6-10-22/h1-18H,(H,27,29)(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.637 kcal/mol

Physical Properties
Molecular Weight: 392.458 g/mol	logS: -7.75124	SlogP: 5.8582	Reactive groups: 0

Topological Properties
Globularity: 0.00525949	Sterimol/B1: 2.50847	Sterimol/B2: 2.77008	Sterimol/B3: 3.57025
Sterimol/B4: 4.65524	Sterimol/L: 24.7785

Surface and Volume Properties
Accessible surface: 683.408	Positive charged surface: 343.738	Negative charged surface: 329.125	Volume: 385
Hydrophobic surface: 610.103	Hydrophilic surface: 73.305

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.