MMsINC Database Search


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MMsINC code: MMs00998905

Type: Neutral
Formula: C₂₃H₁₉FN₄O₂

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=161.322 kcal/mol

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

Topological Properties
Globularity: 0.0634476	Sterimol/B1: 2.80665	Sterimol/B2: 3.46232	Sterimol/B3: 5.2582
Sterimol/B4: 7.35741	Sterimol/L: 18.9842

Surface and Volume Properties
Accessible surface: 643.24	Positive charged surface: 375.796	Negative charged surface: 267.444	Volume: 369.5
Hydrophobic surface: 559.211	Hydrophilic surface: 84.029

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.