MMsINC Database Search


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MMsINC code: MMs00906340

Type: Neutral
Formula: C₁₉H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(C2CC2)C(=O)CN(C1=O)C1CCCCC1

InChI:

InChI=1/C19H23FN2O2/c20-14-8-6-13(7-9-14)18-19(24)21(15-4-2-1-3-5-15)12-17(23)22(18)16-10-11-16/h6-9,15-16,18H,1-5,10-12H2/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.307 kcal/mol

Physical Properties
Molecular Weight: 330.403 g/mol	logS: -3.95894	SlogP: 3.1282	Reactive groups: 0

Topological Properties
Globularity: 0.168231	Sterimol/B1: 2.49562	Sterimol/B2: 4.37347	Sterimol/B3: 5.40947
Sterimol/B4: 6.93769	Sterimol/L: 13.8159

Surface and Volume Properties
Accessible surface: 553.664	Positive charged surface: 361.997	Negative charged surface: 191.667	Volume: 317.625
Hydrophobic surface: 465.454	Hydrophilic surface: 88.21

Pharmacophoric Properties
Hydrogen bond donors: 0	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: no related molecules available.