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MMsINC code: MMs01594824

Type: Neutral
Formula: C₁₉H₂₁ClFN₃O

SMILES:

Clc1cccc(F)c1CC(=O)Nc1ccc(N2CCN(CC2)C)cc1

InChI:

InChI=1/C19H21ClFN3O/c1-23-9-11-24(12-10-23)15-7-5-14(6-8-15)22-19(25)13-16-17(20)3-2-4-18(16)21/h2-8H,9-13H2,1H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.467 kcal/mol

Physical Properties
Molecular Weight: 361.848 g/mol	logS: -4.41975	SlogP: 3.41207	Reactive groups: 0

Topological Properties
Globularity: 0.0421833	Sterimol/B1: 3.46932	Sterimol/B2: 3.88423	Sterimol/B3: 4.62228
Sterimol/B4: 5.34775	Sterimol/L: 18.9197

Surface and Volume Properties
Accessible surface: 611.676	Positive charged surface: 398.026	Negative charged surface: 213.65	Volume: 337.125
Hydrophobic surface: 558.835	Hydrophilic surface: 52.841

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

MMs01594825
ENAMINE-ZINC05172724