MMsINC Database Search


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MMsINC code: MMs00639849

Type: Neutral
Formula: C₂₀H₁₄ClFN₄O

SMILES:

Clc1cc2nn(nc2cc1NC(=O)c1ccccc1F)-c1ccc(cc1)C

InChI:

InChI=1/C20H14ClFN4O/c1-12-6-8-13(9-7-12)26-24-18-10-15(21)17(11-19(18)25-26)23-20(27)14-4-2-3-5-16(14)22/h2-11H,1H3,(H,23,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.089 kcal/mol

Physical Properties
Molecular Weight: 380.81 g/mol	logS: -6.34771	SlogP: 4.77372	Reactive groups: 0

Topological Properties
Globularity: 0.00602577	Sterimol/B1: 2.53741	Sterimol/B2: 2.67523	Sterimol/B3: 3.37503
Sterimol/B4: 7.07648	Sterimol/L: 20.3832

Surface and Volume Properties
Accessible surface: 623.832	Positive charged surface: 290.616	Negative charged surface: 333.216	Volume: 334.75
Hydrophobic surface: 551.333	Hydrophilic surface: 72.499

Pharmacophoric Properties
Hydrogen bond donors: 1	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.