MMsINC Database Search


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MMsINC code: MMs03652242

Type: Neutral
Formula: C₂₀H₂₇FN₂O₂

SMILES:

Fc1ccc(cc1)-c1c(C(=O)N)c(n(CCCO)c1CCCCC)C

InChI:

InChI=1/C20H27FN2O2/c1-3-4-5-7-17-19(15-8-10-16(21)11-9-15)18(20(22)25)14(2)23(17)12-6-13-24/h8-11,24H,3-7,12-13H2,1-2H3,(H2,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.6052 kcal/mol

Physical Properties
Molecular Weight: 346.446 g/mol	logS: -5.06903	SlogP: 4.08299	Reactive groups: 0

Topological Properties
Globularity: 0.182651	Sterimol/B1: 3.41266	Sterimol/B2: 4.08138	Sterimol/B3: 5.08107
Sterimol/B4: 9.4773	Sterimol/L: 13.4033

Surface and Volume Properties
Accessible surface: 638.114	Positive charged surface: 433.633	Negative charged surface: 204.481	Volume: 355.25
Hydrophobic surface: 465.036	Hydrophilic surface: 173.078

Pharmacophoric Properties
Hydrogen bond donors: 2	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.