MMsINC Database Search


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MMsINC code: MMs01211131

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)Cn1c(C(=O)N2CCCC2)c(C)c(C(=O)C)c1C

InChI:

InChI=1/C20H23FN2O2/c1-13-18(15(3)24)14(2)23(12-16-6-8-17(21)9-7-16)19(13)20(25)22-10-4-5-11-22/h6-9H,4-5,10-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.173 kcal/mol

Physical Properties
Molecular Weight: 342.414 g/mol	logS: -3.31656	SlogP: 3.99734	Reactive groups: 0

Topological Properties
Globularity: 0.22406	Sterimol/B1: 2.21465	Sterimol/B2: 3.2425	Sterimol/B3: 5.96717
Sterimol/B4: 9.42822	Sterimol/L: 13.0052

Surface and Volume Properties
Accessible surface: 578.817	Positive charged surface: 351.729	Negative charged surface: 227.087	Volume: 339.25
Hydrophobic surface: 516.92	Hydrophilic surface: 61.897

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