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MMsINC code: MMs00537745

Type: Neutral
Formula: C₂₀H₁₆ClFN₂O₂

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)N1CCCc2c1cccc2

InChI:

InChI=1/C20H16ClFN2O2/c1-12-17(19(23-26-12)18-14(21)8-4-9-15(18)22)20(25)24-11-5-7-13-6-2-3-10-16(13)24/h2-4,6,8-10H,5,7,11H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.619 kcal/mol

Physical Properties
Molecular Weight: 370.811 g/mol	logS: -6.01871	SlogP: 5.03549	Reactive groups: 0

Topological Properties
Globularity: 0.300445	Sterimol/B1: 2.42286	Sterimol/B2: 3.14861	Sterimol/B3: 5.7379
Sterimol/B4: 9.22485	Sterimol/L: 12.9186

Surface and Volume Properties
Accessible surface: 565.767	Positive charged surface: 281.898	Negative charged surface: 283.869	Volume: 328.375
Hydrophobic surface: 533.675	Hydrophilic surface: 32.092

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.