MMsINC Database Search


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MMsINC code: MMs00606264

Type: Neutral
Formula: C₁₈H₁₃ClFNO₂

SMILES:

Clc1cc(NC(=O)c2cc3c(cc2OC)cccc3)ccc1F

InChI:

InChI=1/C18H13ClFNO2/c1-23-17-9-12-5-3-2-4-11(12)8-14(17)18(22)21-13-6-7-16(20)15(19)10-13/h2-10H,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.9093 kcal/mol

Physical Properties
Molecular Weight: 329.758 g/mol	logS: -6.3124	SlogP: 4.8932	Reactive groups: 0

Topological Properties
Globularity: 0.0199187	Sterimol/B1: 2.35456	Sterimol/B2: 2.4005	Sterimol/B3: 3.89923
Sterimol/B4: 8.69178	Sterimol/L: 16.5205

Surface and Volume Properties
Accessible surface: 551.972	Positive charged surface: 282.96	Negative charged surface: 258.198	Volume: 292.25
Hydrophobic surface: 517.598	Hydrophilic surface: 34.374

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.