MMsINC Database Search


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MMsINC code: MMs01207054

Type: Neutral
Formula: C₂₃H₂₅FN₂O

SMILES:

Fc1ccc(cc1)Cn1c(C(=O)N(Cc2ccccc2)C)c(C)c(C)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8979 kcal/mol

Physical Properties
Molecular Weight: 364.464 g/mol	logS: -4.38028	SlogP: 5.40576	Reactive groups: 0

Topological Properties
Globularity: 0.191762	Sterimol/B1: 3.4263	Sterimol/B2: 4.03884	Sterimol/B3: 4.2629
Sterimol/B4: 8.67248	Sterimol/L: 14.3166

Surface and Volume Properties
Accessible surface: 600.961	Positive charged surface: 369.763	Negative charged surface: 231.198	Volume: 372.375
Hydrophobic surface: 568.697	Hydrophilic surface: 32.264

Pharmacophoric Properties
Hydrogen bond donors: 0	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.