MMsINC Database Search


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MMsINC code: MMs01154431

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1C)-c1c2c(cncc2)c(cc1)CNC(=O)c1ccccc1C

InChI:

InChI=1/C26H24N2O2/c1-17-6-4-5-7-21(17)26(29)28-15-20-8-10-22(23-12-13-27-16-24(20)23)19-9-11-25(30-3)18(2)14-19/h4-14,16H,15H2,1-3H3,(H,28,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.29 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -7.0298	SlogP: 5.72364	Reactive groups: 0

Topological Properties
Globularity: 0.0668571	Sterimol/B1: 3.14937	Sterimol/B2: 3.73014	Sterimol/B3: 5.19589
Sterimol/B4: 5.93093	Sterimol/L: 20.2149

Surface and Volume Properties
Accessible surface: 693.451	Positive charged surface: 455.819	Negative charged surface: 224.348	Volume: 399.5
Hydrophobic surface: 644.024	Hydrophilic surface: 49.427

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.