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MMsINC code: MMs02656969

Type: Neutral
Formula: C₁₆H₁₆ClFN₂O₂

SMILES:

Clc1ccc(NCC(O)CNC(=O)c2ccccc2F)cc1

InChI:

InChI=1/C16H16ClFN2O2/c17-11-5-7-12(8-6-11)19-9-13(21)10-20-16(22)14-3-1-2-4-15(14)18/h1-8,13,19,21H,9-10H2,(H,20,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.1691 kcal/mol

Physical Properties
Molecular Weight: 322.767 g/mol	logS: -3.94854	SlogP: 2.6819	Reactive groups: 0

Topological Properties
Globularity: 0.0119748	Sterimol/B1: 2.19734	Sterimol/B2: 2.55753	Sterimol/B3: 3.55144
Sterimol/B4: 5.59823	Sterimol/L: 20.0026

Surface and Volume Properties
Accessible surface: 566.002	Positive charged surface: 293.406	Negative charged surface: 272.596	Volume: 291.375
Hydrophobic surface: 473.901	Hydrophilic surface: 92.101

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.