MMsINC Database Search


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MMsINC code: MMs00701820

Type: Neutral
Formula: C₂₆H₂₂N₂O₃

SMILES:

O(C(=O)c1ccccc1NC(=O)c1cc(nc2c1cccc2)-c1ccccc1C)CC

InChI:

InChI=1/C26H22N2O3/c1-3-31-26(30)20-13-7-9-15-23(20)28-25(29)21-16-24(18-11-5-4-10-17(18)2)27-22-14-8-6-12-19(21)22/h4-16H,3H2,1-2H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.201 kcal/mol

Physical Properties
Molecular Weight: 410.473 g/mol	logS: -7.52145	SlogP: 5.63922	Reactive groups: 0

Topological Properties
Globularity: 0.0916561	Sterimol/B1: 2.41967	Sterimol/B2: 3.19388	Sterimol/B3: 5.82644
Sterimol/B4: 10.6854	Sterimol/L: 14.8039

Surface and Volume Properties
Accessible surface: 706.869	Positive charged surface: 416.98	Negative charged surface: 280.986	Volume: 400.75
Hydrophobic surface: 620.918	Hydrophilic surface: 85.951

Pharmacophoric Properties
Hydrogen bond donors: 1	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.