MMsINC Database Search


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MMsINC code: MMs00690648

Type: Neutral
Formula: C₂₀H₂₀F₂N₂O₂

SMILES:

Fc1ccc(cc1)C(=O)NC1CCC(NC(=O)c2ccc(F)cc2)CC1

InChI:

InChI=1/C20H20F2N2O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-8,17-18H,9-12H2,(H,23,25)(H,24,26)/t17-,18-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1845 kcal/mol

Physical Properties
Molecular Weight: 358.388 g/mol	logS: -5.01736	SlogP: 3.4358	Reactive groups: 0

Topological Properties
Globularity: 0.0460619	Sterimol/B1: 2.26874	Sterimol/B2: 2.38142	Sterimol/B3: 4.64
Sterimol/B4: 4.98226	Sterimol/L: 21.2678

Surface and Volume Properties
Accessible surface: 622.869	Positive charged surface: 341	Negative charged surface: 281.869	Volume: 330.375
Hydrophobic surface: 553.541	Hydrophilic surface: 69.328

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.