MMsINC Database Search


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MMsINC code: MMs02877228

Type: Neutral
Formula: C₁₁H₁₃ClFNO₂

SMILES:

Clc1cccc(F)c1CC(=O)NCCOC

InChI:

InChI=1/C11H13ClFNO2/c1-16-6-5-14-11(15)7-8-9(12)3-2-4-10(8)13/h2-4H,5-7H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.4109 kcal/mol

Physical Properties
Molecular Weight: 245.681 g/mol	logS: -2.76439	SlogP: 1.78417	Reactive groups: 0

Topological Properties
Globularity: 0.0593844	Sterimol/B1: 2.86893	Sterimol/B2: 3.16449	Sterimol/B3: 3.6951
Sterimol/B4: 5.30833	Sterimol/L: 15.0331

Surface and Volume Properties
Accessible surface: 463.937	Positive charged surface: 292.873	Negative charged surface: 171.064	Volume: 218.625
Hydrophobic surface: 419.778	Hydrophilic surface: 44.159

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.