MMsINC Database Search


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MMsINC code: MMs02645421

Type: Neutral
Formula: C₂₃H₁₅N₃

SMILES:

n1c2c(c3c(cc2)cccc3)c(cc1-c1ncccc1)-c1cccnc1

InChI:

InChI=1/C23H15N3/c1-2-8-18-16(6-1)10-11-21-23(18)19(17-7-5-12-24-15-17)14-22(26-21)20-9-3-4-13-25-20/h1-15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.177 kcal/mol

Physical Properties
Molecular Weight: 333.394 g/mol	logS: -6.12538	SlogP: 5.512	Reactive groups: 0

Topological Properties
Globularity: 0.0344603	Sterimol/B1: 3.56368	Sterimol/B2: 3.59152	Sterimol/B3: 4.1968
Sterimol/B4: 7.87915	Sterimol/L: 16.0177

Surface and Volume Properties
Accessible surface: 566.505	Positive charged surface: 351.331	Negative charged surface: 201.09	Volume: 327.125
Hydrophobic surface: 517.302	Hydrophilic surface: 49.203

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.