MMsINC Database Search


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MMsINC code: MMs02049215

Type: Neutral
Formula: C₁₉H₁₈FN₃O₃

SMILES:

Fc1cc(N2CC(NC(=O)Nc3ccc(cc3)C(=O)C)CC2=O)ccc1

InChI:

InChI=1/C19H18FN3O3/c1-12(24)13-5-7-15(8-6-13)21-19(26)22-16-10-18(25)23(11-16)17-4-2-3-14(20)9-17/h2-9,16H,10-11H2,1H3,(H2,21,22,26)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.447 kcal/mol

Physical Properties
Molecular Weight: 355.369 g/mol	logS: -3.95664	SlogP: 2.9553	Reactive groups: 0

Topological Properties
Globularity: 0.0358426	Sterimol/B1: 3.44487	Sterimol/B2: 3.60301	Sterimol/B3: 4.15057
Sterimol/B4: 5.22674	Sterimol/L: 20.1433

Surface and Volume Properties
Accessible surface: 602.544	Positive charged surface: 342.596	Negative charged surface: 259.948	Volume: 325.25
Hydrophobic surface: 468.51	Hydrophilic surface: 134.034

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