MMsINC Database Search


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MMsINC code: MMs02877921

Type: Neutral
Formula: C₁₄H₁₂Cl₂O₂

SMILES:

Clc1ccccc1OCCOc1ccccc1Cl

InChI:

InChI=1/C14H12Cl2O2/c15-11-5-1-3-7-13(11)17-9-10-18-14-8-4-2-6-12(14)16/h1-8H,9-10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.9175 kcal/mol

Physical Properties
Molecular Weight: 283.154 g/mol	logS: -4.74856	SlogP: 4.4512	Reactive groups: 0

Topological Properties
Globularity: 0.0472608	Sterimol/B1: 2.91006	Sterimol/B2: 3.14428	Sterimol/B3: 4.4859
Sterimol/B4: 5.06726	Sterimol/L: 15.9504

Surface and Volume Properties
Accessible surface: 508.193	Positive charged surface: 241.588	Negative charged surface: 266.605	Volume: 252.125
Hydrophobic surface: 506.479	Hydrophilic surface: 1.714

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.