MMsINC Database Search


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MMsINC code: MMs01362579

Type: Neutral
Formula: C₁₄H₁₀Cl₂O₃

SMILES:

Clc1cccc(Cl)c1COC(=O)c1ccccc1O

InChI:

InChI=1/C14H10Cl2O3/c15-11-5-3-6-12(16)10(11)8-19-14(18)9-4-1-2-7-13(9)17/h1-7,17H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.2708 kcal/mol

Physical Properties
Molecular Weight: 297.137 g/mol	logS: -4.64114	SlogP: 4.3224	Reactive groups: 0

Topological Properties
Globularity: 0.0870111	Sterimol/B1: 2.5564	Sterimol/B2: 4.56908	Sterimol/B3: 4.90185
Sterimol/B4: 5.98021	Sterimol/L: 14.453

Surface and Volume Properties
Accessible surface: 491.757	Positive charged surface: 216.136	Negative charged surface: 275.621	Volume: 248.25
Hydrophobic surface: 417.698	Hydrophilic surface: 74.059

Pharmacophoric Properties
Hydrogen bond donors: 1	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.