MMsINC Database Search


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MMsINC code: MMs01033110

Type: Neutral
Formula: C₁₉H₁₆FN₃O₂

SMILES:

Fc1ccc(NC(=O)Cn2ncc3c2-c2cc(ccc2OC3)C)cc1

InChI:

InChI=1/C19H16FN3O2/c1-12-2-7-17-16(8-12)19-13(11-25-17)9-21-23(19)10-18(24)22-15-5-3-14(20)4-6-15/h2-9H,10-11H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.9822 kcal/mol

Physical Properties
Molecular Weight: 337.354 g/mol	logS: -5.04822	SlogP: 4.06152	Reactive groups: 0

Topological Properties
Globularity: 0.12478	Sterimol/B1: 2.34384	Sterimol/B2: 3.26226	Sterimol/B3: 5.00979
Sterimol/B4: 9.51356	Sterimol/L: 14.8425

Surface and Volume Properties
Accessible surface: 562.666	Positive charged surface: 346.231	Negative charged surface: 216.435	Volume: 310
Hydrophobic surface: 478.581	Hydrophilic surface: 84.085

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.