MMsINC Database Search


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MMsINC code: MMs02423642

Type: Neutral
Formula: C₂₄H₂₄N₂

SMILES:

[nH]1c2c(cccc2)c(C2C=C(CCC2)c2c3c([nH]c2C)cccc3)c1C

InChI:

InChI=1/C24H24N2/c1-15-23(19-10-3-5-12-21(19)25-15)17-8-7-9-18(14-17)24-16(2)26-22-13-6-4-11-20(22)24/h3-6,10-14,17,25-26H,7-9H2,1-2H3/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6033 kcal/mol

Physical Properties
Molecular Weight: 340.47 g/mol	logS: -6.15901	SlogP: 6.61714	Reactive groups: 0

Topological Properties
Globularity: 0.184958	Sterimol/B1: 2.11303	Sterimol/B2: 2.4462	Sterimol/B3: 6.64937
Sterimol/B4: 8.28747	Sterimol/L: 15.5663

Surface and Volume Properties
Accessible surface: 588.804	Positive charged surface: 373.68	Negative charged surface: 208.63	Volume: 357.625
Hydrophobic surface: 532.441	Hydrophilic surface: 56.363

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.