MMsINC Database Search


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MMsINC code: MMs03245196

Type: Neutral
Formula: C₂₄H₃₀F₂N₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NCCCCCCCCCCNC(=O)c1ccc(F)cc1

InChI:

InChI=1/C24H30F2N2O2/c25-21-13-9-19(10-14-21)23(29)27-17-7-5-3-1-2-4-6-8-18-28-24(30)20-11-15-22(26)16-12-20/h9-16H,1-8,17-18H2,(H,27,29)(H,28,30)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.0098 kcal/mol

Physical Properties
Molecular Weight: 416.512 g/mol	logS: -6.9294	SlogP: 5.2454	Reactive groups: 0

Topological Properties
Globularity: 0.00468979	Sterimol/B1: 2.37463	Sterimol/B2: 2.37634	Sterimol/B3: 3.24463
Sterimol/B4: 5.34105	Sterimol/L: 28.7401

Surface and Volume Properties
Accessible surface: 782.254	Positive charged surface: 492.628	Negative charged surface: 289.626	Volume: 417.125
Hydrophobic surface: 700.366	Hydrophilic surface: 81.888

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.