MMsINC Database Search


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MMsINC code: MMs01859011

Type: Neutral
Formula: C₁₉H₁₀Cl₂O₃

SMILES:

Clc1cc(ccc1Cl)-c1oc(cc1)C=1Oc2c(cccc2)C(=O)C=1

InChI:

InChI=1/C19H10Cl2O3/c20-13-6-5-11(9-14(13)21)16-7-8-18(23-16)19-10-15(22)12-3-1-2-4-17(12)24-19/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.2027 kcal/mol

Physical Properties
Molecular Weight: 357.192 g/mol	logS: -8.16382	SlogP: 5.8696	Reactive groups: 1

Topological Properties
Globularity: 5.39186e-07	Sterimol/B1: 2.09888	Sterimol/B2: 2.10479	Sterimol/B3: 4.48311
Sterimol/B4: 4.52353	Sterimol/L: 18.7969

Surface and Volume Properties
Accessible surface: 574.093	Positive charged surface: 234.747	Negative charged surface: 339.346	Volume: 306.25
Hydrophobic surface: 528.177	Hydrophilic surface: 45.916

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

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Ions/Tautomers related molecules: no related molecules available.