MMsINC Database Search


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MMsINC code: MMs01462153

Type: Neutral
Formula: C₂₀H₂₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)NC(C(C)C)C(=O)Nc1cc(ccc1)CC

InChI:

InChI=1/C20H23FN2O2/c1-4-14-8-7-9-15(12-14)22-20(25)18(13(2)3)23-19(24)16-10-5-6-11-17(16)21/h5-13,18H,4H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7888 kcal/mol

Physical Properties
Molecular Weight: 342.414 g/mol	logS: -5.54231	SlogP: 3.78117	Reactive groups: 0

Topological Properties
Globularity: 0.0864741	Sterimol/B1: 2.13354	Sterimol/B2: 3.07398	Sterimol/B3: 6.29077
Sterimol/B4: 7.39897	Sterimol/L: 17.4679

Surface and Volume Properties
Accessible surface: 613.999	Positive charged surface: 363.78	Negative charged surface: 250.219	Volume: 337.25
Hydrophobic surface: 506.427	Hydrophilic surface: 107.572

Pharmacophoric Properties
Hydrogen bond donors: 2	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.