MMsINC Database Search


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MMsINC code: MMs02569015

Type: Neutral
Formula: C₂₆H₂₆N₂O₂

SMILES:

O1c2c(cccc2)/C(=N/c2ccc(N(CC)CC)cc2)/C=C1c1ccc(OC)cc1

InChI:

InChI=1/C26H26N2O2/c1-4-28(5-2)21-14-12-20(13-15-21)27-24-18-26(19-10-16-22(29-3)17-11-19)30-25-9-7-6-8-23(24)25/h6-18H,4-5H2,1-3H3/b27-24+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.453 kcal/mol

Physical Properties
Molecular Weight: 398.506 g/mol	logS: -7.09933	SlogP: 6.0957	Reactive groups: 0

Topological Properties
Globularity: 0.0815953	Sterimol/B1: 2.11913	Sterimol/B2: 6.5631	Sterimol/B3: 6.8304
Sterimol/B4: 8.88385	Sterimol/L: 16.151

Surface and Volume Properties
Accessible surface: 710.759	Positive charged surface: 462.78	Negative charged surface: 247.979	Volume: 408.375
Hydrophobic surface: 629.903	Hydrophilic surface: 80.856

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.