MMsINC Database Search


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MMsINC code: MMs01060011

Type: Neutral
Formula: C₂₆H₂₆N₂O

SMILES:

O=C(Nc1ccc(cc1)CC)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C26H26N2O/c1-4-20-10-13-23(14-11-20)27-26(29)22-12-15-25-24(16-22)18(2)19(3)28(25)17-21-8-6-5-7-9-21/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)=103.234 kcal/mol

Physical Properties
Molecular Weight: 382.507 g/mol	logS: -6.76968	SlogP: 6.38751	Reactive groups: 0

Topological Properties
Globularity: 0.0492112	Sterimol/B1: 2.82752	Sterimol/B2: 4.78191	Sterimol/B3: 4.8684
Sterimol/B4: 7.07471	Sterimol/L: 20.1358

Surface and Volume Properties
Accessible surface: 689.853	Positive charged surface: 405.473	Negative charged surface: 279.492	Volume: 397.25
Hydrophobic surface: 614.964	Hydrophilic surface: 74.889

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.