MMsINC Database Search


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MMsINC code: MMs00606814

Type: Neutral
Formula: C₁₄H₁₀Cl₂O₃

SMILES:

Clc1ccc(Cl)cc1C(Oc1ccc(OC)cc1)=O

InChI:

InChI=1/C14H10Cl2O3/c1-18-10-3-5-11(6-4-10)19-14(17)12-8-9(15)2-7-13(12)16/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9188 kcal/mol

Physical Properties
Molecular Weight: 297.137 g/mol	logS: -5.0179	SlogP: 4.2212	Reactive groups: 0

Topological Properties
Globularity: 0.0503475	Sterimol/B1: 2.82684	Sterimol/B2: 3.94194	Sterimol/B3: 4.62011
Sterimol/B4: 4.80976	Sterimol/L: 16.3064

Surface and Volume Properties
Accessible surface: 502.582	Positive charged surface: 242.26	Negative charged surface: 260.322	Volume: 252.375
Hydrophobic surface: 471.682	Hydrophilic surface: 30.9

Pharmacophoric Properties
Hydrogen bond donors: 0	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.