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MMsINC code: MMs01372082

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₂

SMILES:

Clc1cc(F)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1

InChI:

InChI=1/C19H20ClFN2O2/c20-17-12-14(21)4-9-18(17)25-13-19(24)22-15-5-7-16(8-6-15)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=134.296 kcal/mol

Physical Properties
Molecular Weight: 362.832 g/mol	logS: -5.14252	SlogP: 4.4869	Reactive groups: 0

Topological Properties
Globularity: 0.0206378	Sterimol/B1: 2.95304	Sterimol/B2: 3.73554	Sterimol/B3: 4.26459
Sterimol/B4: 4.82344	Sterimol/L: 20.823

Surface and Volume Properties
Accessible surface: 622.542	Positive charged surface: 367.953	Negative charged surface: 254.589	Volume: 330.25
Hydrophobic surface: 562.561	Hydrophilic surface: 59.981

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

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Ions/Tautomers related molecules: no related molecules available.