MMsINC Database Search


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MMsINC code: MMs00133849

Type: Neutral
Formula: C₁₁H₁₀ClNO₂

SMILES:

Clc1nc2c(cc1CO)cc(OC)cc2

InChI:

InChI=1/C11H10ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-5,14H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.5018 kcal/mol

Physical Properties
Molecular Weight: 223.659 g/mol	logS: -2.84037	SlogP: 2.6555	Reactive groups: 0

Topological Properties
Globularity: 0.012361	Sterimol/B1: 2.37431	Sterimol/B2: 2.37503	Sterimol/B3: 2.90327
Sterimol/B4: 5.38419	Sterimol/L: 12.9573

Surface and Volume Properties
Accessible surface: 415.558	Positive charged surface: 243.607	Negative charged surface: 165.987	Volume: 201.25
Hydrophobic surface: 322.532	Hydrophilic surface: 93.026

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.