MMsINC Database Search


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MMsINC code: MMs02769462

Type: Neutral
Formula: C₁₅H₁₅IN₂O

SMILES:

Ic1ccccc1NC(=O)c1cc(N(C)C)ccc1

InChI:

InChI=1/C15H15IN2O/c1-18(2)12-7-5-6-11(10-12)15(19)17-14-9-4-3-8-13(14)16/h3-10H,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.782 kcal/mol

Physical Properties
Molecular Weight: 366.202 g/mol	logS: -4.2738	SlogP: 3.6095	Reactive groups: 0

Topological Properties
Globularity: 0.0185114	Sterimol/B1: 2.75934	Sterimol/B2: 3.33411	Sterimol/B3: 4.02812
Sterimol/B4: 5.34478	Sterimol/L: 15.7939

Surface and Volume Properties
Accessible surface: 521.943	Positive charged surface: 293.235	Negative charged surface: 228.709	Volume: 279.625
Hydrophobic surface: 489.275	Hydrophilic surface: 32.668

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

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Ions/Tautomers related molecules: no related molecules available.