MMsINC Database Search


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MMsINC code: MMs00510045

Type: Neutral
Formula: C₂₄H₁₆N₂

SMILES:

n1c2c(ccc1-c1cnc3c(cccc3)c1-c1ccccc1)cccc2

InChI:

InChI=1/C24H16N2/c1-2-9-18(10-3-1)24-19-11-5-7-13-22(19)25-16-20(24)23-15-14-17-8-4-6-12-21(17)26-23/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.909 kcal/mol

Physical Properties
Molecular Weight: 332.406 g/mol	logS: -7.38352	SlogP: 6.117	Reactive groups: 0

Topological Properties
Globularity: 0.039932	Sterimol/B1: 2.42975	Sterimol/B2: 3.39441	Sterimol/B3: 3.44321
Sterimol/B4: 8.62612	Sterimol/L: 16.2528

Surface and Volume Properties
Accessible surface: 552.457	Positive charged surface: 310.694	Negative charged surface: 226.034	Volume: 331.375
Hydrophobic surface: 518.143	Hydrophilic surface: 34.314

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: 0

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Ions/Tautomers related molecules: no related molecules available.