MMsINC Database Search


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MMsINC code: MMs01207041

Type: Neutral
Formula: C₂₃H₂₅FN₂O

SMILES:

Fc1ccc(cc1)Cn1c(C(=O)NC(C)c2ccccc2)c(C)c(C)c1C

InChI:

InChI=1/C23H25FN2O/c1-15-16(2)22(23(27)25-17(3)20-8-6-5-7-9-20)26(18(15)4)14-19-10-12-21(24)13-11-19/h5-13,17H,14H2,1-4H3,(H,25,27)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.241 kcal/mol

Physical Properties
Molecular Weight: 364.464 g/mol	logS: -4.81348	SlogP: 5.45366	Reactive groups: 0

Topological Properties
Globularity: 0.197858	Sterimol/B1: 3.64599	Sterimol/B2: 4.08329	Sterimol/B3: 4.75866
Sterimol/B4: 7.5842	Sterimol/L: 14.8722

Surface and Volume Properties
Accessible surface: 600.701	Positive charged surface: 335.638	Negative charged surface: 265.063	Volume: 366.75
Hydrophobic surface: 543.202	Hydrophilic surface: 57.499

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.