MMsINC Database Search


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MMsINC code: MMs01123621

Type: Neutral
Formula: C₁₈H₁₉FN₂O₃

SMILES:

Fc1ccc(NC(=O)C2CCCN(C2)C(=O)c2ccoc2C)cc1

InChI:

InChI=1/C18H19FN2O3/c1-12-16(8-10-24-12)18(23)21-9-2-3-13(11-21)17(22)20-15-6-4-14(19)5-7-15/h4-8,10,13H,2-3,9,11H2,1H3,(H,20,22)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.0992 kcal/mol

Physical Properties
Molecular Weight: 330.359 g/mol	logS: -3.93733	SlogP: 3.21802	Reactive groups: 0

Topological Properties
Globularity: 0.0401762	Sterimol/B1: 2.12174	Sterimol/B2: 3.01838	Sterimol/B3: 3.31501
Sterimol/B4: 7.67126	Sterimol/L: 17.8284

Surface and Volume Properties
Accessible surface: 571.048	Positive charged surface: 324.806	Negative charged surface: 246.242	Volume: 306.625
Hydrophobic surface: 501.182	Hydrophilic surface: 69.866

Pharmacophoric Properties
Hydrogen bond donors: 1	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.