MMsINC Database Search


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MMsINC code: MMs01160279

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

O(C)c1ccc(cc1)-c1n(c(C)c(c1)C(=O)NCc1ccccc1)-c1ccccc1

InChI:

InChI=1/C26H24N2O2/c1-19-24(26(29)27-18-20-9-5-3-6-10-20)17-25(21-13-15-23(30-2)16-14-21)28(19)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.024 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -6.21895	SlogP: 5.65772	Reactive groups: 0

Topological Properties
Globularity: 0.0536734	Sterimol/B1: 1.969	Sterimol/B2: 3.39758	Sterimol/B3: 3.95424
Sterimol/B4: 11.6243	Sterimol/L: 17.2487

Surface and Volume Properties
Accessible surface: 702.248	Positive charged surface: 431.306	Negative charged surface: 270.941	Volume: 400.875
Hydrophobic surface: 645.572	Hydrophilic surface: 56.676

Pharmacophoric Properties
Hydrogen bond donors: 1	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.