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MMsINC code: MMs01670698

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)NCC(N1CCOCC1)c1ccc(F)cc1

InChI:

InChI=1/C19H20ClFN2O2/c20-16-5-1-15(2-6-16)19(24)22-13-18(23-9-11-25-12-10-23)14-3-7-17(21)8-4-14/h1-8,18H,9-13H2,(H,22,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.0506 kcal/mol

Physical Properties
Molecular Weight: 362.832 g/mol	logS: -4.51755	SlogP: 3.3779	Reactive groups: 0

Topological Properties
Globularity: 0.0896361	Sterimol/B1: 2.59907	Sterimol/B2: 4.59183	Sterimol/B3: 4.75274
Sterimol/B4: 7.06357	Sterimol/L: 17.0202

Surface and Volume Properties
Accessible surface: 601.965	Positive charged surface: 347.213	Negative charged surface: 254.753	Volume: 331.375
Hydrophobic surface: 549.461	Hydrophilic surface: 52.504

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs01670699
ENAMINE-ZINC06549599