MMsINC Database Search


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MMsINC code: MMs01340864

Type: Neutral
Formula: C₁₀H₁₁ClFNO

SMILES:

ClCC(=O)NCCc1ccc(F)cc1

InChI:

InChI=1/C10H11ClFNO/c11-7-10(14)13-6-5-8-1-3-9(12)4-2-8/h1-4H,5-7H2,(H,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.5031 kcal/mol

Physical Properties
Molecular Weight: 215.655 g/mol	logS: -2.65274	SlogP: 1.72317	Reactive groups: 1

Topological Properties
Globularity: 0.0682202	Sterimol/B1: 2.42151	Sterimol/B2: 2.83512	Sterimol/B3: 3.75699
Sterimol/B4: 4.81813	Sterimol/L: 14.7659

Surface and Volume Properties
Accessible surface: 422.308	Positive charged surface: 219.291	Negative charged surface: 203.017	Volume: 193.25
Hydrophobic surface: 300.218	Hydrophilic surface: 122.09

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