MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01768584

Type: Neutral
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1cc(ccc1)C1N(C(=O)C(=O)C1C(=O)c1cc(OC)ccc1)c1ncccc1

InChI:

InChI=1/C23H17FN2O4/c1-30-17-9-5-7-15(13-17)21(27)19-20(14-6-4-8-16(24)12-14)26(23(29)22(19)28)18-10-2-3-11-25-18/h2-13,19-20H,1H3/t19-,20+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.2775 kcal/mol

Physical Properties
Molecular Weight: 404.397 g/mol	logS: -4.98328	SlogP: 3.4809	Reactive groups: 0

Topological Properties
Globularity: 0.10232	Sterimol/B1: 3.25406	Sterimol/B2: 3.8461	Sterimol/B3: 5.12558
Sterimol/B4: 6.89811	Sterimol/L: 18.0088

Surface and Volume Properties
Accessible surface: 643.193	Positive charged surface: 358.651	Negative charged surface: 284.543	Volume: 362.125
Hydrophobic surface: 529.463	Hydrophilic surface: 113.73

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 2

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules

MMs01768586 IBS-ZINC01451078	MMs01768588 IBS-ZINC01451078	MMs01768585 IBS-ZINC01451078
MMs01768587 IBS-ZINC01451078