MMsINC Database Search


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MMsINC code: MMs00631859

Type: Neutral
Formula: C₁₈H₂₀FNO₂

SMILES:

Fc1ccc(cc1)C(CC(=O)N1CCCCC1)c1occc1

InChI:

InChI=1/C18H20FNO2/c19-15-8-6-14(7-9-15)16(17-5-4-12-22-17)13-18(21)20-10-2-1-3-11-20/h4-9,12,16H,1-3,10-11,13H2/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.1147 kcal/mol

Physical Properties
Molecular Weight: 301.361 g/mol	logS: -3.81157	SlogP: 3.9532	Reactive groups: 0

Topological Properties
Globularity: 0.146893	Sterimol/B1: 2.56123	Sterimol/B2: 3.62316	Sterimol/B3: 4.35974
Sterimol/B4: 7.7938	Sterimol/L: 14.4638

Surface and Volume Properties
Accessible surface: 548.988	Positive charged surface: 344.95	Negative charged surface: 204.038	Volume: 293.75
Hydrophobic surface: 530.297	Hydrophilic surface: 18.691

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.