MMsINC Database Search


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

MMsINC code: MMs01632269

Type: Neutral
Formula: C₁₄H₁₁ClFNO

SMILES:

Clc1cc(F)ccc1NC(=O)Cc1ccccc1

InChI:

InChI=1/C14H11ClFNO/c15-12-9-11(16)6-7-13(12)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3537 kcal/mol

Physical Properties
Molecular Weight: 263.699 g/mol	logS: -4.44561	SlogP: 3.66027	Reactive groups: 0

Topological Properties
Globularity: 0.0840973	Sterimol/B1: 3.40281	Sterimol/B2: 3.4512	Sterimol/B3: 4.14587
Sterimol/B4: 5.6605	Sterimol/L: 14.3124

Surface and Volume Properties
Accessible surface: 474.241	Positive charged surface: 225.634	Negative charged surface: 248.607	Volume: 235.5
Hydrophobic surface: 442.917	Hydrophilic surface: 31.324

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.