MMsINC Database Search


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MMsINC code: MMs02260196

Type: Neutral
Formula: C₂₂H₁₈N₂

SMILES:

N(c1c2c(ccc1)c(Nc1ccccc1)ccc2)c1ccccc1

InChI:

InChI=1/C22H18N2/c1-3-9-17(10-4-1)23-21-15-7-14-20-19(21)13-8-16-22(20)24-18-11-5-2-6-12-18/h1-16,23-24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=147.257 kcal/mol

Physical Properties
Molecular Weight: 310.4 g/mol	logS: -6.5034	SlogP: 6.327	Reactive groups: 0

Topological Properties
Globularity: 0.0202048	Sterimol/B1: 2.79999	Sterimol/B2: 2.82497	Sterimol/B3: 4.31305
Sterimol/B4: 4.93164	Sterimol/L: 18.7053

Surface and Volume Properties
Accessible surface: 569.196	Positive charged surface: 307.98	Negative charged surface: 251.571	Volume: 318.375
Hydrophobic surface: 547.99	Hydrophilic surface: 21.206

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1

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Ions/Tautomers related molecules: no related molecules available.