MMsINC Database Search


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MMsINC code: MMs01060010

Type: Neutral
Formula: C₂₆H₂₆N₂O

SMILES:

O=C(Nc1ccccc1CC)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C26H26N2O/c1-4-21-12-8-9-13-24(21)27-26(29)22-14-15-25-23(16-22)18(2)19(3)28(25)17-20-10-6-5-7-11-20/h5-16H,4,17H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.313 kcal/mol

Physical Properties
Molecular Weight: 382.507 g/mol	logS: -6.45623	SlogP: 6.38751	Reactive groups: 0

Topological Properties
Globularity: 0.0478067	Sterimol/B1: 2.73505	Sterimol/B2: 3.15357	Sterimol/B3: 4.82777
Sterimol/B4: 8.72238	Sterimol/L: 18.1667

Surface and Volume Properties
Accessible surface: 676.992	Positive charged surface: 389.392	Negative charged surface: 282.133	Volume: 398.625
Hydrophobic surface: 615.237	Hydrophilic surface: 61.755

Pharmacophoric Properties
Hydrogen bond donors: 1	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.