MMsINC Database Search


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

MMsINC code: MMs01959517

Type: Neutral
Formula: C₁₈H₁₅ClFN₃O₃

SMILES:

Clc1cc(NC(=O)C(N2C(=O)c3c(NC2=O)cccc3)CC)ccc1F

InChI:

InChI=1/C18H15ClFN3O3/c1-2-15(16(24)21-10-7-8-13(20)12(19)9-10)23-17(25)11-5-3-4-6-14(11)22-18(23)26/h3-9,15H,2H2,1H3,(H,21,24)(H,22,26)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7977 kcal/mol

Physical Properties
Molecular Weight: 375.787 g/mol	logS: -5.38659	SlogP: 3.8841	Reactive groups: 0

Topological Properties
Globularity: 0.0835996	Sterimol/B1: 2.3356	Sterimol/B2: 3.51564	Sterimol/B3: 4.20379
Sterimol/B4: 8.31842	Sterimol/L: 17.4751

Surface and Volume Properties
Accessible surface: 579.311	Positive charged surface: 283.123	Negative charged surface: 296.188	Volume: 319.875
Hydrophobic surface: 458.912	Hydrophilic surface: 120.399

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.