MMsINC Database Search


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MMsINC code: MMs01254525

Type: Neutral
Formula: C₁₉H₂₄FN₃O₃

SMILES:

Fc1ccc(cc1)CCNC(=O)CN1C(=O)C2(NC1=O)CCCCCC2

InChI:

InChI=1/C19H24FN3O3/c20-15-7-5-14(6-8-15)9-12-21-16(24)13-23-17(25)19(22-18(23)26)10-3-1-2-4-11-19/h5-8H,1-4,9-13H2,(H,21,24)(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8736 kcal/mol

Physical Properties
Molecular Weight: 361.417 g/mol	logS: -4.31777	SlogP: 2.12917	Reactive groups: 0

Topological Properties
Globularity: 0.0545021	Sterimol/B1: 3.00905	Sterimol/B2: 4.27677	Sterimol/B3: 4.39968
Sterimol/B4: 4.97949	Sterimol/L: 19.0958

Surface and Volume Properties
Accessible surface: 608.844	Positive charged surface: 385.136	Negative charged surface: 223.707	Volume: 337.125
Hydrophobic surface: 488.42	Hydrophilic surface: 120.424

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.