MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03148838

Type: Neutral
Formula: C₁₇H₁₀Cl₂O₃

SMILES:

Clc1ccccc1-c1oc(cc1)C(Oc1ccc(Cl)cc1)=O

InChI:

InChI=1/C17H10Cl2O3/c18-11-5-7-12(8-6-11)21-17(20)16-10-9-15(22-16)13-3-1-2-4-14(13)19/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.0656 kcal/mol

Physical Properties
Molecular Weight: 333.17 g/mol	logS: -7.11427	SlogP: 5.4726	Reactive groups: 0

Topological Properties
Globularity: 0.0463085	Sterimol/B1: 2.42605	Sterimol/B2: 4.10086	Sterimol/B3: 4.3696
Sterimol/B4: 4.57906	Sterimol/L: 18.0824

Surface and Volume Properties
Accessible surface: 557.536	Positive charged surface: 233.596	Negative charged surface: 323.94	Volume: 284.375
Hydrophobic surface: 515.49	Hydrophilic surface: 42.046

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: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.