MMsINC Database Search


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MMsINC code: MMs02063562

Type: Neutral
Formula: C₂₃H₁₉N₃O₂

SMILES:

O=C1N(C(=Nc2c1cccc2)C)c1cc(NC(=O)c2ccccc2C)ccc1

InChI:

InChI=1/C23H19N3O2/c1-15-8-3-4-11-19(15)22(27)25-17-9-7-10-18(14-17)26-16(2)24-21-13-6-5-12-20(21)23(26)28/h3-14H,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.148 kcal/mol

Physical Properties
Molecular Weight: 369.424 g/mol	logS: -6.36059	SlogP: 4.95762	Reactive groups: 0

Topological Properties
Globularity: 0.0547175	Sterimol/B1: 3.31041	Sterimol/B2: 3.59157	Sterimol/B3: 4.34134
Sterimol/B4: 6.82039	Sterimol/L: 18.8984

Surface and Volume Properties
Accessible surface: 631.115	Positive charged surface: 361.936	Negative charged surface: 269.179	Volume: 356.625
Hydrophobic surface: 559.308	Hydrophilic surface: 71.807

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.