MMsINC Database Search


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MMsINC code: MMs03152671

Type: Neutral
Formula: C₂₄H₂₃FN₂O₂

SMILES:

Fc1ccccc1C(=O)N(C(C(=O)Nc1c(cccc1C)C)c1ccccc1)C

InChI:

InChI=1/C24H23FN2O2/c1-16-10-9-11-17(2)21(16)26-23(28)22(18-12-5-4-6-13-18)27(3)24(29)19-14-7-8-15-20(19)25/h4-15,22H,1-3H3,(H,26,28)/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=144.646 kcal/mol

Physical Properties
Molecular Weight: 390.458 g/mol	logS: -5.80527	SlogP: 4.99004	Reactive groups: 0

Topological Properties
Globularity: 0.19506	Sterimol/B1: 2.36523	Sterimol/B2: 4.79093	Sterimol/B3: 6.95705
Sterimol/B4: 7.55865	Sterimol/L: 16.2466

Surface and Volume Properties
Accessible surface: 641.742	Positive charged surface: 357.915	Negative charged surface: 283.827	Volume: 379.75
Hydrophobic surface: 597.985	Hydrophilic surface: 43.757

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.