MMsINC Database Search


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MMsINC code: MMs03942796

Type: Neutral
Formula: C₂₆H₂₂N₂O₃

SMILES:

O(CC(=O)Nc1ccc(cc1)C(=O)NCc1ccccc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H22N2O3/c29-25(18-31-24-12-6-10-20-9-4-5-11-23(20)24)28-22-15-13-21(14-16-22)26(30)27-17-19-7-2-1-3-8-19/h1-16H,17-18H2,(H,27,30)(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.369 kcal/mol

Physical Properties
Molecular Weight: 410.473 g/mol	logS: -7.2236	SlogP: 5.0537	Reactive groups: 0

Topological Properties
Globularity: 0.0217362	Sterimol/B1: 3.33529	Sterimol/B2: 3.81938	Sterimol/B3: 4.46401
Sterimol/B4: 6.17063	Sterimol/L: 23.4134

Surface and Volume Properties
Accessible surface: 742.703	Positive charged surface: 415.753	Negative charged surface: 316.117	Volume: 400.375
Hydrophobic surface: 646.547	Hydrophilic surface: 96.156

Pharmacophoric Properties
Hydrogen bond donors: 2	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.