MMsINC Database Search


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MMsINC code: MMs02622043

Type: Neutral
Formula: C₂₃H₁₆N₂

SMILES:

[nH]1c2c(c3c1nc(cc3-c1ccccc1)-c1ccccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.1821 kcal/mol

Physical Properties
Molecular Weight: 320.395 g/mol	logS: -8.7945	SlogP: 6.0501	Reactive groups: 0

Topological Properties
Globularity: 0.0266858	Sterimol/B1: 2.34596	Sterimol/B2: 3.07412	Sterimol/B3: 3.11751
Sterimol/B4: 9.98488	Sterimol/L: 15.724

Surface and Volume Properties
Accessible surface: 568.282	Positive charged surface: 299.019	Negative charged surface: 251.352	Volume: 323.375
Hydrophobic surface: 529.746	Hydrophilic surface: 38.536

Pharmacophoric Properties
Hydrogen bond donors: 2	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.