MMsINC Database Search


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MMsINC code: MMs01060014

Type: Neutral
Formula: C₂₆H₂₆N₂O

SMILES:

O=C(NCc1ccc(cc1)C)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C26H26N2O/c1-18-9-11-21(12-10-18)16-27-26(29)23-13-14-25-24(15-23)19(2)20(3)28(25)17-22-7-5-4-6-8-22/h4-15H,16-17H2,1-3H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.6558 kcal/mol

Physical Properties
Molecular Weight: 382.507 g/mol	logS: -6.1985	SlogP: 6.07766	Reactive groups: 0

Topological Properties
Globularity: 0.0501246	Sterimol/B1: 3.18662	Sterimol/B2: 4.01262	Sterimol/B3: 4.35452
Sterimol/B4: 7.89931	Sterimol/L: 19.0156

Surface and Volume Properties
Accessible surface: 708.208	Positive charged surface: 407.822	Negative charged surface: 295.055	Volume: 401.25
Hydrophobic surface: 644.21	Hydrophilic surface: 63.998

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.