MMsINC Database Search


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MMsINC code: MMs00506391

Type: Neutral
Formula: C₁₅H₁₀INO₂

SMILES:

Ic1cc(N2C(=O)c3c(cccc3)C2=O)ccc1C

InChI:

InChI=1/C15H10INO2/c1-9-6-7-10(8-13(9)16)17-14(18)11-4-2-3-5-12(11)15(17)19/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2837 kcal/mol

Physical Properties
Molecular Weight: 363.154 g/mol	logS: -4.91058	SlogP: 3.40022	Reactive groups: 0

Topological Properties
Globularity: 0.00405955	Sterimol/B1: 2.36886	Sterimol/B2: 2.5123	Sterimol/B3: 3.91021
Sterimol/B4: 5.38546	Sterimol/L: 14.6634

Surface and Volume Properties
Accessible surface: 482.932	Positive charged surface: 203.092	Negative charged surface: 279.84	Volume: 256.5
Hydrophobic surface: 413.386	Hydrophilic surface: 69.546

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.