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MMsINC code: MMs02008290

Type: Neutral
Formula: C₂₀H₁₄ClFN₄O₂

SMILES:

Clc1cccc(F)c1C(=O)Nc1cc(ccc1OC)-c1nc2n(c1)C=CC=N2

InChI:

InChI=1/C20H14ClFN4O2/c1-28-17-7-6-12(16-11-26-9-3-8-23-20(26)25-16)10-15(17)24-19(27)18-13(21)4-2-5-14(18)22/h2-11H,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.2 kcal/mol

Physical Properties
Molecular Weight: 396.809 g/mol	logS: -6.50792	SlogP: 4.7901	Reactive groups: 0

Topological Properties
Globularity: 0.032434	Sterimol/B1: 1.969	Sterimol/B2: 3.19571	Sterimol/B3: 4.65803
Sterimol/B4: 10.0733	Sterimol/L: 18.027

Surface and Volume Properties
Accessible surface: 633.722	Positive charged surface: 347.608	Negative charged surface: 286.115	Volume: 344.75
Hydrophobic surface: 509.54	Hydrophilic surface: 124.182

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.