MMsINC Database Search


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MMsINC code: MMs01206935

Type: Neutral
Formula: C₂₃H₂₄F₂N₂O

SMILES:

Fc1cc(ccc1F)Cn1c(C(=O)NC(C)c2ccccc2)c(C)c(C)c1C

InChI:

InChI=1/C23H24F2N2O/c1-14-15(2)22(23(28)26-16(3)19-8-6-5-7-9-19)27(17(14)4)13-18-10-11-20(24)21(25)12-18/h5-12,16H,13H2,1-4H3,(H,26,28)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.829 kcal/mol

Physical Properties
Molecular Weight: 382.454 g/mol	logS: -5.10846	SlogP: 5.59276	Reactive groups: 0

Topological Properties
Globularity: 0.197917	Sterimol/B1: 3.64621	Sterimol/B2: 4.07187	Sterimol/B3: 4.74254
Sterimol/B4: 7.82785	Sterimol/L: 14.8768

Surface and Volume Properties
Accessible surface: 607.611	Positive charged surface: 327.614	Negative charged surface: 279.997	Volume: 368.25
Hydrophobic surface: 549.838	Hydrophilic surface: 57.773

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

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Ions/Tautomers related molecules: no related molecules available.