MMsINC Database Search


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MMsINC code: MMs01363984

Type: Neutral
Formula: C₁₈H₁₇ClF₂N₂O

SMILES:

Clc1cc(F)c(F)cc1C(=O)Nc1ccc(N2CCCCC2)cc1

InChI:

InChI=1/C18H17ClF2N2O/c19-15-11-17(21)16(20)10-14(15)18(24)22-12-4-6-13(7-5-12)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.194 kcal/mol

Physical Properties
Molecular Weight: 350.796 g/mol	logS: -5.36068	SlogP: 4.8608	Reactive groups: 0

Topological Properties
Globularity: 0.0287909	Sterimol/B1: 3.09888	Sterimol/B2: 3.53278	Sterimol/B3: 3.73467
Sterimol/B4: 4.83462	Sterimol/L: 18.6636

Surface and Volume Properties
Accessible surface: 567.672	Positive charged surface: 314.468	Negative charged surface: 253.203	Volume: 308.875
Hydrophobic surface: 529.52	Hydrophilic surface: 38.152

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

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Ions/Tautomers related molecules: no related molecules available.