MMsINC Database Search


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MMsINC code: MMs00226651

Type: Neutral
Formula: C₂₃H₁₆N₂

SMILES:

n1c-2c(cc3c1cccc3)/C(=N/c1ccc(cc1)C)/c1c-2cccc1

InChI:

InChI=1/C23H16N2/c1-15-10-12-17(13-11-15)24-22-18-7-3-4-8-19(18)23-20(22)14-16-6-2-5-9-21(16)25-23/h2-14H,1H3/b24-22+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.397 kcal/mol

Physical Properties
Molecular Weight: 320.395 g/mol	logS: -7.18846	SlogP: 5.69272	Reactive groups: 0

Topological Properties
Globularity: 0.0342582	Sterimol/B1: 3.36872	Sterimol/B2: 3.70977	Sterimol/B3: 3.73829
Sterimol/B4: 7.19692	Sterimol/L: 17.3136

Surface and Volume Properties
Accessible surface: 569.5	Positive charged surface: 322.053	Negative charged surface: 236.977	Volume: 321.25
Hydrophobic surface: 532.273	Hydrophilic surface: 37.227

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.