MMsINC Database Search


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MMsINC code: MMs01026634

Type: Neutral
Formula: C₂₀H₂₁FN₂O₃

SMILES:

Fc1ccccc1CNC(=O)CCC(=O)N1CCOc2c1cc(cc2)C

InChI:

InChI=1/C20H21FN2O3/c1-14-6-7-18-17(12-14)23(10-11-26-18)20(25)9-8-19(24)22-13-15-4-2-3-5-16(15)21/h2-7,12H,8-11,13H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4213 kcal/mol

Physical Properties
Molecular Weight: 356.397 g/mol	logS: -4.15341	SlogP: 3.22252	Reactive groups: 0

Topological Properties
Globularity: 0.0325909	Sterimol/B1: 1.969	Sterimol/B2: 3.49858	Sterimol/B3: 4.02634
Sterimol/B4: 8.87749	Sterimol/L: 19.1159

Surface and Volume Properties
Accessible surface: 635.049	Positive charged surface: 406.535	Negative charged surface: 228.515	Volume: 333.75
Hydrophobic surface: 552.766	Hydrophilic surface: 82.283

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.