MMsINC Database Search


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MMsINC code: MMs01173256

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

o1cccc1CN(C(=O)c1ccccc1C)Cc1n(ccc1)Cc1ccc(cc1)C

InChI:

InChI=1/C26H26N2O2/c1-20-11-13-22(14-12-20)17-27-15-5-8-23(27)18-28(19-24-9-6-16-30-24)26(29)25-10-4-3-7-21(25)2/h3-16H,17-19H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.008 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -5.91828	SlogP: 6.38804	Reactive groups: 0

Topological Properties
Globularity: 0.135727	Sterimol/B1: 2.99297	Sterimol/B2: 3.75575	Sterimol/B3: 5.05704
Sterimol/B4: 9.01593	Sterimol/L: 15.6353

Surface and Volume Properties
Accessible surface: 650.325	Positive charged surface: 378.549	Negative charged surface: 271.776	Volume: 410
Hydrophobic surface: 595.622	Hydrophilic surface: 54.703

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.