MMsINC Database Search


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MMsINC code: MMs01751581

Type: Neutral
Formula: C₁₉H₂₆FNO₂

SMILES:

Fc1ccc(cc1)C1N(CCC2(O)C1CCCC2)C(=O)CCC

InChI:

InChI=1/C19H26FNO2/c1-2-5-17(22)21-13-12-19(23)11-4-3-6-16(19)18(21)14-7-9-15(20)10-8-14/h7-10,16,18,23H,2-6,11-13H2,1H3/t16-,18+,19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.216 kcal/mol

Physical Properties
Molecular Weight: 319.42 g/mol	logS: -3.93812	SlogP: 3.916	Reactive groups: 0

Topological Properties
Globularity: 0.246844	Sterimol/B1: 2.11007	Sterimol/B2: 3.77732	Sterimol/B3: 4.66438
Sterimol/B4: 9.25562	Sterimol/L: 13.0895

Surface and Volume Properties
Accessible surface: 540.836	Positive charged surface: 382.717	Negative charged surface: 158.119	Volume: 311.875
Hydrophobic surface: 474.861	Hydrophilic surface: 65.975

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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.