MMsINC Database Search


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MMsINC code: MMs00899398

Type: Neutral
Formula: C₂₃H₁₉FN₄O₂

SMILES:

Fc1ccccc1N1CCN(CC1)C(=O)C=1C=CC=2N(C=1)C(=O)c1c(N=2)cccc1

InChI:

InChI=1/C23H19FN4O2/c24-18-6-2-4-8-20(18)26-11-13-27(14-12-26)22(29)16-9-10-21-25-19-7-3-1-5-17(19)23(30)28(21)15-16/h1-10,15H,11-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.632 kcal/mol

Physical Properties
Molecular Weight: 402.429 g/mol	logS: -5.25443	SlogP: 3.114	Reactive groups: 0

Topological Properties
Globularity: 0.0894382	Sterimol/B1: 2.64521	Sterimol/B2: 3.01346	Sterimol/B3: 5.78792
Sterimol/B4: 6.61637	Sterimol/L: 19.3952

Surface and Volume Properties
Accessible surface: 657.534	Positive charged surface: 383.369	Negative charged surface: 274.164	Volume: 368.625
Hydrophobic surface: 558.159	Hydrophilic surface: 99.375

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.