MMsINC Database Search


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MMsINC code: MMs01189601

Type: Neutral
Formula: C₂₆H₂₄N₂O₂

SMILES:

o1cccc1CN(Cc1cc(ccc1)-c1ccccc1)C(=O)CCc1cccnc1

InChI:

InChI=1/C26H24N2O2/c29-26(14-13-21-8-5-15-27-18-21)28(20-25-12-6-16-30-25)19-22-7-4-11-24(17-22)23-9-2-1-3-10-23/h1-12,15-18H,13-14,19-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.0628 kcal/mol

Physical Properties
Molecular Weight: 396.49 g/mol	logS: -5.82402	SlogP: 6.03597	Reactive groups: 0

Topological Properties
Globularity: 0.113857	Sterimol/B1: 2.33532	Sterimol/B2: 5.20088	Sterimol/B3: 6.51349
Sterimol/B4: 6.98554	Sterimol/L: 18.447

Surface and Volume Properties
Accessible surface: 698.771	Positive charged surface: 390.802	Negative charged surface: 296.898	Volume: 403.5
Hydrophobic surface: 641.691	Hydrophilic surface: 57.08

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: 1

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Ions/Tautomers related molecules: no related molecules available.