MMsINC Database Search


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MMsINC code: MMs02746462

Type: Neutral
Formula: C₂₃H₁₆N₂

SMILES:

n1c-2c(cc3c1cccc3)/C(=N/c1ccccc1C)/c1c-2cccc1

InChI:

InChI=1/C23H16N2/c1-15-8-2-6-12-20(15)24-22-17-10-4-5-11-18(17)23-19(22)14-16-9-3-7-13-21(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)=123.576 kcal/mol

Physical Properties
Molecular Weight: 320.395 g/mol	logS: -6.87501	SlogP: 5.69272	Reactive groups: 0

Topological Properties
Globularity: 0.060509	Sterimol/B1: 2.26843	Sterimol/B2: 2.38834	Sterimol/B3: 5.40963
Sterimol/B4: 9.04894	Sterimol/L: 16.3818

Surface and Volume Properties
Accessible surface: 563.188	Positive charged surface: 312.976	Negative charged surface: 239.922	Volume: 321.75
Hydrophobic surface: 531.774	Hydrophilic surface: 31.414

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.