MMsINC Database Search


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MMsINC code: MMs01580782

Type: Neutral
Formula: C₂₀H₂₀FNO₃

SMILES:

Fc1ccc(cc1)C(OC(C(=O)NC1CCCc2c1cccc2)C)=O

InChI:

InChI=1/C20H20FNO3/c1-13(25-20(24)15-9-11-16(21)12-10-15)19(23)22-18-8-4-6-14-5-2-3-7-17(14)18/h2-3,5,7,9-13,18H,4,6,8H2,1H3,(H,22,23)/t13-,18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0782 kcal/mol

Physical Properties
Molecular Weight: 341.382 g/mol	logS: -5.23013	SlogP: 3.66027	Reactive groups: 0

Topological Properties
Globularity: 0.0703347	Sterimol/B1: 2.13311	Sterimol/B2: 4.17886	Sterimol/B3: 5.53509
Sterimol/B4: 5.97435	Sterimol/L: 17.4198

Surface and Volume Properties
Accessible surface: 593.716	Positive charged surface: 345.142	Negative charged surface: 248.575	Volume: 324.5
Hydrophobic surface: 509.93	Hydrophilic surface: 83.786

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.