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MMsINC code: MMs01453181

Type: Neutral
Formula: C₁₈H₁₂ClFN₄O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)Nc1[nH]c2c(n1)cccc2

InChI:

InChI=1/C18H12ClFN4O2/c1-9-14(16(24-26-9)15-10(19)5-4-6-11(15)20)17(25)23-18-21-12-7-2-3-8-13(12)22-18/h2-8H,1H3,(H2,21,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8524 kcal/mol

Physical Properties
Molecular Weight: 370.771 g/mol	logS: -6.7605	SlogP: 4.57112	Reactive groups: 0

Topological Properties
Globularity: 0.110978	Sterimol/B1: 2.2661	Sterimol/B2: 3.68673	Sterimol/B3: 4.24159
Sterimol/B4: 10.2458	Sterimol/L: 15.0431

Surface and Volume Properties
Accessible surface: 589.044	Positive charged surface: 275.038	Negative charged surface: 314.007	Volume: 313.625
Hydrophobic surface: 491.012	Hydrophilic surface: 98.032

Pharmacophoric Properties
Hydrogen bond donors: 3	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.