MMsINC Database Search


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MMsINC code: MMs01369740

Type: Neutral
Formula: C₁₈H₁₇ClFNO₃

SMILES:

Clc1cccc(F)c1CC(OCC(=O)NC(C)c1ccccc1)=O

InChI:

InChI=1/C18H17ClFNO3/c1-12(13-6-3-2-4-7-13)21-17(22)11-24-18(23)10-14-15(19)8-5-9-16(14)20/h2-9,12H,10-11H2,1H3,(H,21,22)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.4913 kcal/mol

Physical Properties
Molecular Weight: 349.789 g/mol	logS: -5.12503	SlogP: 3.53767	Reactive groups: 1

Topological Properties
Globularity: 0.0502021	Sterimol/B1: 2.19044	Sterimol/B2: 3.02928	Sterimol/B3: 4.24538
Sterimol/B4: 6.19121	Sterimol/L: 18.6937

Surface and Volume Properties
Accessible surface: 612.497	Positive charged surface: 319.151	Negative charged surface: 293.346	Volume: 314.875
Hydrophobic surface: 520.546	Hydrophilic surface: 91.951

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.