MMsINC Database Search


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MMsINC code: MMs00397937

Type: Neutral
Formula: C₂₀H₂₄FN₃O₃

SMILES:

Fc1ccccc1CN(C(=O)c1c(noc1C)C)CC(=O)NC1CCCC1

InChI:

InChI=1/C20H24FN3O3/c1-13-19(14(2)27-23-13)20(26)24(11-15-7-3-6-10-17(15)21)12-18(25)22-16-8-4-5-9-16/h3,6-7,10,16H,4-5,8-9,11-12H2,1-2H3,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.0529 kcal/mol

Physical Properties
Molecular Weight: 373.428 g/mol	logS: -3.88952	SlogP: 3.39814	Reactive groups: 0

Topological Properties
Globularity: 0.127831	Sterimol/B1: 2.37005	Sterimol/B2: 2.83972	Sterimol/B3: 6.06447
Sterimol/B4: 8.95395	Sterimol/L: 15.7102

Surface and Volume Properties
Accessible surface: 614.021	Positive charged surface: 379.392	Negative charged surface: 234.629	Volume: 356.625
Hydrophobic surface: 539.882	Hydrophilic surface: 74.139

Pharmacophoric Properties
Hydrogen bond donors: 1	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.