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MMsINC code: MMs02783983

Type: Neutral
Formula: C₂₁H₂₄ClFN₂O₂

SMILES:

Clc1cccc(F)c1CN1CCC(CC1)C(=O)NCc1ccc(OC)cc1

InChI:

InChI=1/C21H24ClFN2O2/c1-27-17-7-5-15(6-8-17)13-24-21(26)16-9-11-25(12-10-16)14-18-19(22)3-2-4-20(18)23/h2-8,16H,9-14H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.3013 kcal/mol

Physical Properties
Molecular Weight: 390.886 g/mol	logS: -4.58531	SlogP: 4.5489	Reactive groups: 0

Topological Properties
Globularity: 0.0615663	Sterimol/B1: 2.47396	Sterimol/B2: 3.63494	Sterimol/B3: 4.9728
Sterimol/B4: 7.0162	Sterimol/L: 18.7089

Surface and Volume Properties
Accessible surface: 666.797	Positive charged surface: 427.465	Negative charged surface: 239.333	Volume: 362.875
Hydrophobic surface: 606.959	Hydrophilic surface: 59.838

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs02783984
PUBCHEM-ZINC01179409