MMsINC Database Search


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MMsINC code: MMs03067704

Type: Neutral
Formula: C₂₀H₂₂FNO₃

SMILES:

Fc1cc(ccc1)C(N1CCC(CC1)C(O)=O)c1cc(OC)ccc1

InChI:

InChI=1/C20H22FNO3/c1-25-18-7-3-5-16(13-18)19(15-4-2-6-17(21)12-15)22-10-8-14(9-11-22)20(23)24/h2-7,12-14,19H,8-11H2,1H3,(H,23,24)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.162 kcal/mol

Physical Properties
Molecular Weight: 343.398 g/mol	logS: -3.67429	SlogP: 3.8158	Reactive groups: 0

Topological Properties
Globularity: 0.143888	Sterimol/B1: 2.85501	Sterimol/B2: 3.16198	Sterimol/B3: 4.82671
Sterimol/B4: 9.16293	Sterimol/L: 16.0363

Surface and Volume Properties
Accessible surface: 576.974	Positive charged surface: 385.474	Negative charged surface: 191.5	Volume: 329.75
Hydrophobic surface: 477.432	Hydrophilic surface: 99.542

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.