MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01948226

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

O=C1N(CC(=O)N(C1c1ccccc1)c1ccc(cc1C)C)c1c(cccc1C)C

InChI:

InChI=1/C26H26N2O2/c1-17-13-14-22(20(4)15-17)28-23(29)16-27(24-18(2)9-8-10-19(24)3)26(30)25(28)21-11-6-5-7-12-21/h5-15,25H,16H2,1-4H3/t25-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=185.837 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -6.24349	SlogP: 5.13688	Reactive groups: 0

Topological Properties
Globularity: 0.104804	Sterimol/B1: 3.82167	Sterimol/B2: 4.04408	Sterimol/B3: 4.54383
Sterimol/B4: 8.28401	Sterimol/L: 17.036

Surface and Volume Properties
Accessible surface: 643.989	Positive charged surface: 367.574	Negative charged surface: 276.415	Volume: 402.75
Hydrophobic surface: 591.886	Hydrophilic surface: 52.103

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.