MMsINC Database Search


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MMsINC code: MMs00630532

Type: Neutral
Formula: C₁₄H₁₀Cl₂O₂

SMILES:

ClC(Cl)=C(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.9088 kcal/mol

Physical Properties
Molecular Weight: 281.138 g/mol	logS: -4.56992	SlogP: 4.21849	Reactive groups: 0

Topological Properties
Globularity: 0.161465	Sterimol/B1: 2.65786	Sterimol/B2: 4.35334	Sterimol/B3: 4.57172
Sterimol/B4: 4.90321	Sterimol/L: 13.2581

Surface and Volume Properties
Accessible surface: 469.887	Positive charged surface: 219.916	Negative charged surface: 249.97	Volume: 244.5
Hydrophobic surface: 361.903	Hydrophilic surface: 107.984

Pharmacophoric Properties
Hydrogen bond donors: 2	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.