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MMsINC code: MMs02686861

Type: Neutral
Formula: C₂₁H₂₅FN₂O

SMILES:

Fc1ccc(cc1)CN1CCC(CC1)C(=O)NC(C)c1ccccc1

InChI:

InChI=1/C21H25FN2O/c1-16(18-5-3-2-4-6-18)23-21(25)19-11-13-24(14-12-19)15-17-7-9-20(22)10-8-17/h2-10,16,19H,11-15H2,1H3,(H,23,25)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.8326 kcal/mol

Physical Properties
Molecular Weight: 340.442 g/mol	logS: -4.12785	SlogP: 4.277	Reactive groups: 0

Topological Properties
Globularity: 0.0735433	Sterimol/B1: 3.11328	Sterimol/B2: 3.43863	Sterimol/B3: 4.07531
Sterimol/B4: 7.37846	Sterimol/L: 15.9155

Surface and Volume Properties
Accessible surface: 631.728	Positive charged surface: 396.142	Negative charged surface: 235.586	Volume: 342.125
Hydrophobic surface: 578.019	Hydrophilic surface: 53.709

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02686862
PUBCHEM-ZINC00455582