MMsINC Database Search


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MMsINC code: MMs00070953

Type: Neutral
Formula: C₁₄H₁₀ClNO

SMILES:

Clc1cc2nc(oc2cc1)-c1ccccc1C

InChI:

InChI=1/C14H10ClNO/c1-9-4-2-3-5-11(9)14-16-12-8-10(15)6-7-13(12)17-14/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0472 kcal/mol

Physical Properties
Molecular Weight: 243.693 g/mol	logS: -5.90876	SlogP: 4.45662	Reactive groups: 0

Topological Properties
Globularity: 0.0400069	Sterimol/B1: 2.09102	Sterimol/B2: 2.29946	Sterimol/B3: 3.44341
Sterimol/B4: 6.13955	Sterimol/L: 14.8672

Surface and Volume Properties
Accessible surface: 450.971	Positive charged surface: 217.432	Negative charged surface: 233.539	Volume: 226.625
Hydrophobic surface: 419.225	Hydrophilic surface: 31.746

Pharmacophoric Properties
Hydrogen bond donors: 0	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.