MMsINC Database Search


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MMsINC code: MMs02802703

Type: Neutral
Formula: C₂₀H₂₅FN₂O₂

SMILES:

Fc1ccc(cc1)C1N(C2(CCCC2)C(=O)NC2CCCC2)C(=O)C1

InChI:

InChI=1/C20H25FN2O2/c21-15-9-7-14(8-10-15)17-13-18(24)23(17)20(11-3-4-12-20)19(25)22-16-5-1-2-6-16/h7-10,16-17H,1-6,11-13H2,(H,22,25)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.4979 kcal/mol

Physical Properties
Molecular Weight: 344.43 g/mol	logS: -3.83517	SlogP: 3.5662	Reactive groups: 0

Topological Properties
Globularity: 0.167008	Sterimol/B1: 2.62197	Sterimol/B2: 3.34502	Sterimol/B3: 5.2759
Sterimol/B4: 8.35181	Sterimol/L: 15.0144

Surface and Volume Properties
Accessible surface: 572.499	Positive charged surface: 338.015	Negative charged surface: 197.471	Volume: 336
Hydrophobic surface: 514.016	Hydrophilic surface: 58.483

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: no related molecules available.