MMsINC Database Search


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MMsINC code: MMs00815373

Type: Neutral
Formula: C₁₉H₂₀F₂N₂O₂

SMILES:

Fc1ccc(NC(=O)CC(CCC(=O)Nc2ccc(F)cc2)C)cc1

InChI:

InChI=1/C19H20F2N2O2/c1-13(12-19(25)23-17-9-5-15(21)6-10-17)2-11-18(24)22-16-7-3-14(20)4-8-16/h3-10,13H,2,11-12H2,1H3,(H,22,24)(H,23,25)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.4945 kcal/mol

Physical Properties
Molecular Weight: 346.377 g/mol	logS: -4.85596	SlogP: 4.3484	Reactive groups: 0

Topological Properties
Globularity: 0.0220901	Sterimol/B1: 2.1004	Sterimol/B2: 3.4053	Sterimol/B3: 4.40382
Sterimol/B4: 4.49059	Sterimol/L: 21.5252

Surface and Volume Properties
Accessible surface: 626.873	Positive charged surface: 361.374	Negative charged surface: 265.499	Volume: 320.875
Hydrophobic surface: 530.811	Hydrophilic surface: 96.062

Pharmacophoric Properties
Hydrogen bond donors: 2	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.