MMsINC Database Search


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MMsINC code: MMs02755362

Type: Neutral
Formula: C₁₉H₂₁FN₂O₂

SMILES:

Fc1ccc(NC(=O)c2ccccc2NC(=O)C(CC)CC)cc1

InChI:

InChI=1/C19H21FN2O2/c1-3-13(4-2)18(23)22-17-8-6-5-7-16(17)19(24)21-15-11-9-14(20)10-12-15/h5-13H,3-4H2,1-2H3,(H,21,24)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.7087 kcal/mol

Physical Properties
Molecular Weight: 328.387 g/mol	logS: -5.29328	SlogP: 4.4527	Reactive groups: 0

Topological Properties
Globularity: 0.106442	Sterimol/B1: 2.55535	Sterimol/B2: 2.74767	Sterimol/B3: 5.95386
Sterimol/B4: 9.29171	Sterimol/L: 14.893

Surface and Volume Properties
Accessible surface: 602.119	Positive charged surface: 356.391	Negative charged surface: 245.727	Volume: 320
Hydrophobic surface: 512.524	Hydrophilic surface: 89.595

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.