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MMsINC code: MMs01743641

Type: Neutral
Formula: C₂₃H₁₆N₄

SMILES:

[nH]1cc(c2c1cccc2)-c1nc(nnc1-c1ccccc1)-c1ccccc1

InChI:

InChI=1/C23H16N4/c1-3-9-16(10-4-1)21-22(19-15-24-20-14-8-7-13-18(19)20)25-23(27-26-21)17-11-5-2-6-12-17/h1-15,24H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.154 kcal/mol

Physical Properties
Molecular Weight: 348.409 g/mol	logS: -7.57392	SlogP: 5.3539	Reactive groups: 0

Topological Properties
Globularity: 0.0574278	Sterimol/B1: 2.78345	Sterimol/B2: 3.3026	Sterimol/B3: 3.96649
Sterimol/B4: 9.93134	Sterimol/L: 15.8317

Surface and Volume Properties
Accessible surface: 597.4	Positive charged surface: 312.961	Negative charged surface: 274.14	Volume: 342
Hydrophobic surface: 510.232	Hydrophilic surface: 87.168

Pharmacophoric Properties
Hydrogen bond donors: 1	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.