MMsINC Database Search


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MMsINC code: MMs01530796

Type: Tautomer
Formula: C₂₆H₂₀N₂

SMILES:

n1c2c(n(Cc3cc4c(cc3)cccc4)c1\C=C\c1ccccc1)cccc2

InChI:

InChI=1/C26H20N2/c1-2-8-20(9-3-1)15-17-26-27-24-12-6-7-13-25(24)28(26)19-21-14-16-22-10-4-5-11-23(22)18-21/h1-18H,19H2/b17-15+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0736 kcal/mol

Physical Properties
Molecular Weight: 360.46 g/mol	logS: -7.42347	SlogP: 6.6746	Reactive groups: 0

Topological Properties
Globularity: 0.100648	Sterimol/B1: 3.71547	Sterimol/B2: 3.72758	Sterimol/B3: 6.06016
Sterimol/B4: 7.96255	Sterimol/L: 15.6225

Surface and Volume Properties
Accessible surface: 635.148	Positive charged surface: 330.055	Negative charged surface: 295.792	Volume: 372.75
Hydrophobic surface: 605.792	Hydrophilic surface: 29.356

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

search links for this molecule:

Parent related molecule:

MMs01530795
ENAMINE-ZINC04032340