MMsINC Database Search


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MMsINC code: MMs02582264

Type: Neutral
Formula: C₂₃H₁₆N₂

SMILES:

n1c2c(cccc2)c(Nc2cc3c(cc2)cccc3)c2c1cccc2

InChI:

InChI=1/C23H16N2/c1-2-8-17-15-18(14-13-16(17)7-1)24-23-19-9-3-5-11-21(19)25-22-12-6-4-10-20(22)23/h1-15H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.468 kcal/mol

Physical Properties
Molecular Weight: 320.395 g/mol	logS: -7.3183	SlogP: 6.2848	Reactive groups: 0

Topological Properties
Globularity: 0.120795	Sterimol/B1: 3.19776	Sterimol/B2: 4.85723	Sterimol/B3: 5.90813
Sterimol/B4: 6.25042	Sterimol/L: 14.8036

Surface and Volume Properties
Accessible surface: 570.145	Positive charged surface: 301.477	Negative charged surface: 250.625	Volume: 322.75
Hydrophobic surface: 530.84	Hydrophilic surface: 39.305

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.