MMsINC Database Search


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MMsINC code: MMs03109297

Type: Neutral
Formula: C₂₃H₂₁N₃O₂

SMILES:

O(C)c1ccccc1-c1cc2c(ncnc2NCc2ccccc2OC)cc1

InChI:

InChI=1/C23H21N3O2/c1-27-21-9-5-3-7-17(21)14-24-23-19-13-16(11-12-20(19)25-15-26-23)18-8-4-6-10-22(18)28-2/h3-13,15H,14H2,1-2H3,(H,24,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.637 kcal/mol

Physical Properties
Molecular Weight: 371.44 g/mol	logS: -6.53718	SlogP: 5.1925	Reactive groups: 0

Topological Properties
Globularity: 0.139421	Sterimol/B1: 2.46114	Sterimol/B2: 4.62549	Sterimol/B3: 7.43431
Sterimol/B4: 8.17229	Sterimol/L: 15.4203

Surface and Volume Properties
Accessible surface: 668.823	Positive charged surface: 466.687	Negative charged surface: 192.247	Volume: 364.375
Hydrophobic surface: 585.471	Hydrophilic surface: 83.352

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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: 1

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Ions/Tautomers related molecules: no related molecules available.