MMsINC Database Search


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MMsINC code: MMs01615944

Type: Neutral
Formula: C₁₈H₁₆FNO₂

SMILES:

Fc1ccc(cc1)C(NC(=O)c1oc2c(cccc2)c1C)C

InChI:

InChI=1/C18H16FNO2/c1-11-15-5-3-4-6-16(15)22-17(11)18(21)20-12(2)13-7-9-14(19)10-8-13/h3-10,12H,1-2H3,(H,20,21)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.8464 kcal/mol

Physical Properties
Molecular Weight: 297.329 g/mol	logS: -5.67982	SlogP: 4.46682	Reactive groups: 0

Topological Properties
Globularity: 0.0517379	Sterimol/B1: 2.07004	Sterimol/B2: 2.76717	Sterimol/B3: 4.40717
Sterimol/B4: 7.29243	Sterimol/L: 16.0905

Surface and Volume Properties
Accessible surface: 544.698	Positive charged surface: 299.974	Negative charged surface: 238.796	Volume: 285.375
Hydrophobic surface: 489.56	Hydrophilic surface: 55.138

Pharmacophoric Properties
Hydrogen bond donors: 1	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.