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MMsINC code: MMs02938811

Type: Neutral
Formula: C₂₁H₂₅FN₂O

SMILES:

Fc1ccc(cc1)C(=O)NCCNC1CCC(CC1)c1ccccc1

InChI:

InChI=1/C21H25FN2O/c22-19-10-6-18(7-11-19)21(25)24-15-14-23-20-12-8-17(9-13-20)16-4-2-1-3-5-16/h1-7,10-11,17,20,23H,8-9,12-15H2,(H,24,25)/t17-,20-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2382 kcal/mol

Physical Properties
Molecular Weight: 340.442 g/mol	logS: -4.56623	SlogP: 3.8715	Reactive groups: 0

Topological Properties
Globularity: 0.0269073	Sterimol/B1: 3.15894	Sterimol/B2: 3.4139	Sterimol/B3: 3.49704
Sterimol/B4: 5.67737	Sterimol/L: 21.0652

Surface and Volume Properties
Accessible surface: 642.397	Positive charged surface: 404.21	Negative charged surface: 238.187	Volume: 346.625
Hydrophobic surface: 584.259	Hydrophilic surface: 58.138

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02938812
PUBCHEM-ZINC02851829