MMsINC Database Search


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MMsINC code: MMs01042560

Type: Neutral
Formula: C₂₃H₁₉FN₂O₂

SMILES:

Fc1cc(ccc1)CN1c2c(cccc2)C(=O)N(CCc2ccccc2)C1=O

InChI:

InChI=1/C23H19FN2O2/c24-19-10-6-9-18(15-19)16-26-21-12-5-4-11-20(21)22(27)25(23(26)28)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4772 kcal/mol

Physical Properties
Molecular Weight: 374.415 g/mol	logS: -5.61817	SlogP: 4.91717	Reactive groups: 0

Topological Properties
Globularity: 0.0586041	Sterimol/B1: 3.2071	Sterimol/B2: 3.9031	Sterimol/B3: 5.07083
Sterimol/B4: 7.34021	Sterimol/L: 17.0801

Surface and Volume Properties
Accessible surface: 617.876	Positive charged surface: 334.181	Negative charged surface: 283.695	Volume: 355.625
Hydrophobic surface: 565.771	Hydrophilic surface: 52.105

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.