MMsINC Database Search


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MMsINC code: MMs01126578

Type: Neutral
Formula: C₂₂H₂₃FN₂O₂

SMILES:

Fc1ccc(cc1)CN(Cc1oc(cc1)C)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C22H23FN2O2/c1-3-18-6-4-5-7-21(18)24-22(26)25(15-20-13-8-16(2)27-20)14-17-9-11-19(23)12-10-17/h4-13H,3,14-15H2,1-2H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.397 kcal/mol

Physical Properties
Molecular Weight: 366.436 g/mol	logS: -5.89363	SlogP: 6.05659	Reactive groups: 0

Topological Properties
Globularity: 0.113706	Sterimol/B1: 1.969	Sterimol/B2: 5.69034	Sterimol/B3: 6.02705
Sterimol/B4: 7.34833	Sterimol/L: 14.5452

Surface and Volume Properties
Accessible surface: 620.927	Positive charged surface: 349.576	Negative charged surface: 271.35	Volume: 359.75
Hydrophobic surface: 568.922	Hydrophilic surface: 52.005

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.