MMsINC Database Search


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MMsINC code: MMs00181535

Type: Neutral
Formula: C₂₄H₂₃FN₂O

SMILES:

Fc1ccc(cc1)CC(=O)N1c2c(cccc2)C(Nc2ccccc2)CC1C

InChI:

InChI=1/C24H23FN2O/c1-17-15-22(26-20-7-3-2-4-8-20)21-9-5-6-10-23(21)27(17)24(28)16-18-11-13-19(25)14-12-18/h2-14,17,22,26H,15-16H2,1H3/t17-,22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=203.962 kcal/mol

Physical Properties
Molecular Weight: 374.459 g/mol	logS: -5.84751	SlogP: 5.44227	Reactive groups: 0

Topological Properties
Globularity: 0.0814267	Sterimol/B1: 2.33134	Sterimol/B2: 3.12147	Sterimol/B3: 4.51385
Sterimol/B4: 8.68352	Sterimol/L: 18.7512

Surface and Volume Properties
Accessible surface: 633.892	Positive charged surface: 354.635	Negative charged surface: 279.257	Volume: 365.125
Hydrophobic surface: 590.943	Hydrophilic surface: 42.949

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.