MMsINC Database Search


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MMsINC code: MMs02573211

Type: Neutral
Formula: C₂₂H₁₈ClFN₂O₃

SMILES:

Clc1cc(NC(=O)COc2ccc(cc2)C(=O)Nc2ccc(F)cc2)ccc1C

InChI:

InChI=1/C22H18ClFN2O3/c1-14-2-7-18(12-20(14)23)25-21(27)13-29-19-10-3-15(4-11-19)22(28)26-17-8-5-16(24)6-9-17/h2-12H,13H2,1H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.599 kcal/mol

Physical Properties
Molecular Weight: 412.848 g/mol	logS: -6.59142	SlogP: 5.05732	Reactive groups: 0

Topological Properties
Globularity: 0.0112338	Sterimol/B1: 2.7046	Sterimol/B2: 3.62822	Sterimol/B3: 4.4667
Sterimol/B4: 4.48344	Sterimol/L: 23.8164

Surface and Volume Properties
Accessible surface: 698.186	Positive charged surface: 352.4	Negative charged surface: 345.786	Volume: 369.125
Hydrophobic surface: 606.775	Hydrophilic surface: 91.411

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.