MMsINC Database Search


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MMsINC code: MMs00100601

Type: Neutral
Formula: C₁₅H₁₃ClFNO₃

SMILES:

Clc1cc(OC)c(NC(=O)c2ccccc2F)cc1OC

InChI:

InChI=1/C15H13ClFNO3/c1-20-13-8-12(14(21-2)7-10(13)16)18-15(19)9-5-3-4-6-11(9)17/h3-8H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.5914 kcal/mol

Physical Properties
Molecular Weight: 309.724 g/mol	logS: -4.4849	SlogP: 3.7486	Reactive groups: 0

Topological Properties
Globularity: 0.0242187	Sterimol/B1: 2.38844	Sterimol/B2: 2.4661	Sterimol/B3: 2.94598
Sterimol/B4: 9.69357	Sterimol/L: 15.4172

Surface and Volume Properties
Accessible surface: 526.475	Positive charged surface: 318.517	Negative charged surface: 207.959	Volume: 267.25
Hydrophobic surface: 487.216	Hydrophilic surface: 39.259

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.