MMsINC Database Search


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MMsINC code: MMs02008726

Type: Neutral
Formula: C₁₉H₁₆FN₃O₄

SMILES:

Fc1ccc(cc1)CN1C(=O)C=C(NC1=O)NCc1cc2OCOc2cc1

InChI:

InChI=1/C19H16FN3O4/c20-14-4-1-12(2-5-14)10-23-18(24)8-17(22-19(23)25)21-9-13-3-6-15-16(7-13)27-11-26-15/h1-8,21H,9-11H2,(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.3552 kcal/mol

Physical Properties
Molecular Weight: 369.352 g/mol	logS: -4.21464	SlogP: 2.7702	Reactive groups: 0

Topological Properties
Globularity: 0.0618486	Sterimol/B1: 2.63912	Sterimol/B2: 4.3631	Sterimol/B3: 4.44771
Sterimol/B4: 5.27	Sterimol/L: 17.8788

Surface and Volume Properties
Accessible surface: 598.523	Positive charged surface: 358.035	Negative charged surface: 240.488	Volume: 322.375
Hydrophobic surface: 429.645	Hydrophilic surface: 168.878

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.