MMsINC Database Search


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MMsINC code: MMs01060071

Type: Neutral
Formula: C₂₆H₂₆N₂O

SMILES:

O=C(NCc1ccccc1C)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C26H26N2O/c1-18-9-7-8-12-23(18)16-27-26(29)22-13-14-25-24(15-22)19(2)20(3)28(25)17-21-10-5-4-6-11-21/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)=89.8744 kcal/mol

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

Topological Properties
Globularity: 0.0680031	Sterimol/B1: 2.19906	Sterimol/B2: 4.96479	Sterimol/B3: 5.68476
Sterimol/B4: 7.01006	Sterimol/L: 17.8139

Surface and Volume Properties
Accessible surface: 686.666	Positive charged surface: 389.511	Negative charged surface: 292.332	Volume: 402.125
Hydrophobic surface: 627.844	Hydrophilic surface: 58.822

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.