MMsINC Database Search


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MMsINC code: MMs01952504

Type: Neutral
Formula: C₁₅H₁₀ClNO₂

SMILES:

Clc1cc2NC(=O)/C(/c2cc1)=C\c1ccccc1O

InChI:

InChI=1/C15H10ClNO2/c16-10-5-6-11-12(15(19)17-13(11)8-10)7-9-3-1-2-4-14(9)18/h1-8,18H,(H,17,19)/b12-7-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.3155 kcal/mol

Physical Properties
Molecular Weight: 271.703 g/mol	logS: -4.36502	SlogP: 3.5383	Reactive groups: 0

Topological Properties
Globularity: 0.0431925	Sterimol/B1: 2.11102	Sterimol/B2: 2.77598	Sterimol/B3: 3.84987
Sterimol/B4: 5.48153	Sterimol/L: 15.5331

Surface and Volume Properties
Accessible surface: 464.642	Positive charged surface: 231.394	Negative charged surface: 233.248	Volume: 241.875
Hydrophobic surface: 358.69	Hydrophilic surface: 105.952

Pharmacophoric Properties
Hydrogen bond donors: 2	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.