MMsINC Database Search


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MMsINC code: MMs01672154

Type: Neutral
Formula: C₁₉H₂₆FN₃O₃

SMILES:

Fc1ccc(cc1)CCNC(=O)CN1C(=O)C(NC1=O)(CCC)CCC

InChI:

InChI=1/C19H26FN3O3/c1-3-10-19(11-4-2)17(25)23(18(26)22-19)13-16(24)21-12-9-14-5-7-15(20)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H,21,24)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.7214 kcal/mol

Physical Properties
Molecular Weight: 363.433 g/mol	logS: -4.41981	SlogP: 2.37517	Reactive groups: 0

Topological Properties
Globularity: 0.0551164	Sterimol/B1: 2.526	Sterimol/B2: 3.2201	Sterimol/B3: 4.81628
Sterimol/B4: 7.96173	Sterimol/L: 19.2059

Surface and Volume Properties
Accessible surface: 651.133	Positive charged surface: 415.951	Negative charged surface: 235.182	Volume: 350.75
Hydrophobic surface: 486.154	Hydrophilic surface: 164.979

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.