MMsINC Database Search


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MMsINC code: MMs00843296

Type: Neutral
Formula: C₂₀H₂₁FN₂O₂

SMILES:

Fc1ccc(cc1)CNC(=O)C1CC(=O)N(C1)CCc1ccccc1

InChI:

InChI=1/C20H21FN2O2/c21-18-8-6-16(7-9-18)13-22-20(25)17-12-19(24)23(14-17)11-10-15-4-2-1-3-5-15/h1-9,17H,10-14H2,(H,22,25)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.8561 kcal/mol

Physical Properties
Molecular Weight: 340.398 g/mol	logS: -3.50918	SlogP: 2.79947	Reactive groups: 0

Topological Properties
Globularity: 0.029093	Sterimol/B1: 3.21546	Sterimol/B2: 3.48277	Sterimol/B3: 3.58669
Sterimol/B4: 4.54896	Sterimol/L: 21.1054

Surface and Volume Properties
Accessible surface: 633.088	Positive charged surface: 372.909	Negative charged surface: 260.179	Volume: 329.625
Hydrophobic surface: 549.107	Hydrophilic surface: 83.981

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.