MMsINC Database Search


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MMsINC code: MMs01446601

Type: Neutral
Formula: C₂₂H₁₇ClFNO₃

SMILES:

Clc1cc(ccc1)CNC(=O)COc1ccc(cc1)C(=O)c1ccc(F)cc1

InChI:

InChI=1/C22H17ClFNO3/c23-18-3-1-2-15(12-18)13-25-21(26)14-28-20-10-6-17(7-11-20)22(27)16-4-8-19(24)9-5-16/h1-12H,13-14H2,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.665 kcal/mol

Physical Properties
Molecular Weight: 397.833 g/mol	logS: -6.47781	SlogP: 4.6717	Reactive groups: 0

Topological Properties
Globularity: 0.0297389	Sterimol/B1: 2.8815	Sterimol/B2: 3.36205	Sterimol/B3: 4.99745
Sterimol/B4: 5.91103	Sterimol/L: 21.6073

Surface and Volume Properties
Accessible surface: 675.207	Positive charged surface: 328.741	Negative charged surface: 346.466	Volume: 357.875
Hydrophobic surface: 576.124	Hydrophilic surface: 99.083

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.