MMsINC Database Search


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MMsINC code: MMs02662828

Type: Neutral
Formula: C₁₃H₁₀ClNO₂

SMILES:

Clc1cc(ccc1)C(=O)Nc1cc(O)ccc1

InChI:

InChI=1/C13H10ClNO2/c14-10-4-1-3-9(7-10)13(17)15-11-5-2-6-12(16)8-11/h1-8,16H,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1373 kcal/mol

Physical Properties
Molecular Weight: 247.681 g/mol	logS: -3.72721	SlogP: 3.2979	Reactive groups: 0

Topological Properties
Globularity: 0.026169	Sterimol/B1: 2.24469	Sterimol/B2: 2.78289	Sterimol/B3: 3.43572
Sterimol/B4: 5.77489	Sterimol/L: 14.2655

Surface and Volume Properties
Accessible surface: 457.339	Positive charged surface: 215.104	Negative charged surface: 242.235	Volume: 223.25
Hydrophobic surface: 369.255	Hydrophilic surface: 88.084

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.