MMsINC Database Search


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MMsINC code: MMs00962963

Type: Neutral
Formula: C₂₂H₁₆ClFN₂O₂

SMILES:

Clc1cc(F)ccc1CN1c2c(cccc2)C(=O)N(c2ccccc2C)C1=O

InChI:

InChI=1/C22H16ClFN2O2/c1-14-6-2-4-8-19(14)26-21(27)17-7-3-5-9-20(17)25(22(26)28)13-15-10-11-16(24)12-18(15)23/h2-12H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.522 kcal/mol

Physical Properties
Molecular Weight: 394.833 g/mol	logS: -6.50742	SlogP: 5.84092	Reactive groups: 0

Topological Properties
Globularity: 0.187886	Sterimol/B1: 2.41799	Sterimol/B2: 5.53328	Sterimol/B3: 6.02416
Sterimol/B4: 7.36181	Sterimol/L: 13.71

Surface and Volume Properties
Accessible surface: 576.597	Positive charged surface: 287.747	Negative charged surface: 288.85	Volume: 347.875
Hydrophobic surface: 528.19	Hydrophilic surface: 48.407

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.