MMsINC Database Search


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

MMsINC code: MMs02144673

Type: Neutral
Formula: C₁₅H₁₀INO

SMILES:

Ic1ccccc1C(=O)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C15H10INO/c16-13-7-3-1-6-11(13)15(18)12-9-17-14-8-4-2-5-10(12)14/h1-9,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1716 kcal/mol

Physical Properties
Molecular Weight: 347.155 g/mol	logS: -4.73911	SlogP: 4.0035	Reactive groups: 0

Topological Properties
Globularity: 0.085927	Sterimol/B1: 2.66516	Sterimol/B2: 3.66132	Sterimol/B3: 4.98192
Sterimol/B4: 5.42129	Sterimol/L: 14.4262

Surface and Volume Properties
Accessible surface: 467.492	Positive charged surface: 204.154	Negative charged surface: 259.778	Volume: 250.75
Hydrophobic surface: 404.253	Hydrophilic surface: 63.239

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.