MMsINC Database Search


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MMsINC code: MMs03368270

Type: Neutral
Formula: C₂₄H₂₀N₂

SMILES:

n1(c2c(cccc2)cc1)Cc1ccc(cc1)Cn1c2c(cccc2)cc1

InChI:

InChI=1/C24H20N2/c1-3-7-23-21(5-1)13-15-25(23)17-19-9-11-20(12-10-19)18-26-16-14-22-6-2-4-8-24(22)26/h1-16H,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.8197 kcal/mol

Physical Properties
Molecular Weight: 336.438 g/mol	logS: -5.2885	SlogP: 6.2254	Reactive groups: 0

Topological Properties
Globularity: 0.0646779	Sterimol/B1: 2.97213	Sterimol/B2: 3.06456	Sterimol/B3: 4.69406
Sterimol/B4: 6.56915	Sterimol/L: 16.9279

Surface and Volume Properties
Accessible surface: 610.003	Positive charged surface: 333.437	Negative charged surface: 265.253	Volume: 350.875
Hydrophobic surface: 558.648	Hydrophilic surface: 51.355

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

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Ions/Tautomers related molecules: no related molecules available.