MMsINC Database Search


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MMsINC code: MMs01136666

Type: Neutral
Formula: C₂₆H₃₂N₂O₂

SMILES:

O(Cc1ccccc1)CC(=O)N(Cc1n(ccc1)Cc1ccccc1C)CCCC

InChI:

InChI=1/C26H32N2O2/c1-3-4-16-28(26(29)21-30-20-23-12-6-5-7-13-23)19-25-15-10-17-27(25)18-24-14-9-8-11-22(24)2/h5-15,17H,3-4,16,18-21H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.0318 kcal/mol

Physical Properties
Molecular Weight: 404.554 g/mol	logS: -5.11173	SlogP: 5.98952	Reactive groups: 0

Topological Properties
Globularity: 0.0945557	Sterimol/B1: 2.22827	Sterimol/B2: 4.41214	Sterimol/B3: 5.16725
Sterimol/B4: 11.2233	Sterimol/L: 19.7516

Surface and Volume Properties
Accessible surface: 755.669	Positive charged surface: 480.522	Negative charged surface: 275.146	Volume: 430.375
Hydrophobic surface: 677.914	Hydrophilic surface: 77.755

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.