MMsINC Database Search


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MMsINC code: MMs00842198

Type: Neutral
Formula: C₂₀H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(C2CCCC2)C(=O)CN(C1=O)C1CCCC1

InChI:

InChI=1/C20H25FN2O2/c21-15-11-9-14(10-12-15)19-20(25)22(16-5-1-2-6-16)13-18(24)23(19)17-7-3-4-8-17/h9-12,16-17,19H,1-8,13H2/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.159 kcal/mol

Physical Properties
Molecular Weight: 344.43 g/mol	logS: -3.84726	SlogP: 3.5183	Reactive groups: 0

Topological Properties
Globularity: 0.220152	Sterimol/B1: 2.66371	Sterimol/B2: 4.61878	Sterimol/B3: 5.72377
Sterimol/B4: 6.88779	Sterimol/L: 13.2436

Surface and Volume Properties
Accessible surface: 553.286	Positive charged surface: 374.332	Negative charged surface: 178.954	Volume: 328.625
Hydrophobic surface: 506.1	Hydrophilic surface: 47.186

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.