MMsINC Database Search


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MMsINC code: MMs00676690

Type: Neutral
Formula: C₂₀H₂₀ClFN₂O₂

SMILES:

Clc1cc(NC(=O)C2CCN(CC2)C(=O)Cc2ccccc2)ccc1F

InChI:

InChI=1/C20H20ClFN2O2/c21-17-13-16(6-7-18(17)22)23-20(26)15-8-10-24(11-9-15)19(25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,23,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7359 kcal/mol

Physical Properties
Molecular Weight: 374.843 g/mol	logS: -4.82105	SlogP: 3.89887	Reactive groups: 0

Topological Properties
Globularity: 0.0627648	Sterimol/B1: 2.86096	Sterimol/B2: 4.16954	Sterimol/B3: 4.696
Sterimol/B4: 5.65849	Sterimol/L: 19.656

Surface and Volume Properties
Accessible surface: 632.212	Positive charged surface: 353.88	Negative charged surface: 278.332	Volume: 342.375
Hydrophobic surface: 572.551	Hydrophilic surface: 59.661

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.