MMsINC Database Search


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MMsINC code: MMs01156769

Type: Neutral
Formula: C₂₂H₂₀ClFN₂O

SMILES:

Clc1ccc(cc1)-c1n(c(C)c(c1)C(=O)N1CCCC1)-c1cc(F)ccc1

InChI:

InChI=1/C22H20ClFN2O/c1-15-20(22(27)25-11-2-3-12-25)14-21(16-7-9-17(23)10-8-16)26(15)19-6-4-5-18(24)13-19/h4-10,13-14H,2-3,11-12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.906 kcal/mol

Physical Properties
Molecular Weight: 382.866 g/mol	logS: -5.87633	SlogP: 5.48122	Reactive groups: 0

Topological Properties
Globularity: 0.0687385	Sterimol/B1: 1.969	Sterimol/B2: 3.08248	Sterimol/B3: 4.01236
Sterimol/B4: 10.4947	Sterimol/L: 15.6028

Surface and Volume Properties
Accessible surface: 624.357	Positive charged surface: 338.75	Negative charged surface: 285.607	Volume: 357.875
Hydrophobic surface: 585.797	Hydrophilic surface: 38.56

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.