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MMsINC code: MMs00906435

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₄

SMILES:

Clc1cccc(F)c1-c1noc(C)c1C(=O)N1CC(CCC1)C(OCC)=O

InChI:

InChI=1/C19H20ClFN2O4/c1-3-26-19(25)12-6-5-9-23(10-12)18(24)15-11(2)27-22-17(15)16-13(20)7-4-8-14(16)21/h4,7-8,12H,3,5-6,9-10H2,1-2H3/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.788 kcal/mol

Physical Properties
Molecular Weight: 394.83 g/mol	logS: -4.85345	SlogP: 3.85782	Reactive groups: 0

Topological Properties
Globularity: 0.175113	Sterimol/B1: 2.41909	Sterimol/B2: 4.45385	Sterimol/B3: 5.94352
Sterimol/B4: 7.35257	Sterimol/L: 15.6989

Surface and Volume Properties
Accessible surface: 617.8	Positive charged surface: 350.239	Negative charged surface: 267.561	Volume: 349.5
Hydrophobic surface: 525.146	Hydrophilic surface: 92.654

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.