MMsINC Database Search


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MMsINC code: MMs02091681

Type: Neutral
Formula: C₁₃H₈Cl₂O₂

SMILES:

Clc1cc(Cl)cc(C(=O)c2ccccc2)c1O

InChI:

InChI=1/C13H8Cl2O2/c14-9-6-10(13(17)11(15)7-9)12(16)8-4-2-1-3-5-8/h1-7,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6064 kcal/mol

Physical Properties
Molecular Weight: 267.111 g/mol	logS: -4.56432	SlogP: 3.93	Reactive groups: 0

Topological Properties
Globularity: 0.180259	Sterimol/B1: 3.42987	Sterimol/B2: 3.86594	Sterimol/B3: 4.5314
Sterimol/B4: 4.78095	Sterimol/L: 12.4094

Surface and Volume Properties
Accessible surface: 451.039	Positive charged surface: 168.906	Negative charged surface: 282.133	Volume: 227
Hydrophobic surface: 382.979	Hydrophilic surface: 68.06

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.