MMsINC Database Search


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MMsINC code: MMs01402657

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₃

SMILES:

Clc1cc(cc(Cl)c1O)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C15H13Cl2NO3/c1-21-13-5-3-2-4-9(13)8-18-15(20)10-6-11(16)14(19)12(17)7-10/h2-7,19H,8H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.7817 kcal/mol

Physical Properties
Molecular Weight: 326.179 g/mol	logS: -4.45592	SlogP: 3.904	Reactive groups: 0

Topological Properties
Globularity: 0.131803	Sterimol/B1: 2.09663	Sterimol/B2: 2.49254	Sterimol/B3: 6.18143
Sterimol/B4: 6.8422	Sterimol/L: 15.3696

Surface and Volume Properties
Accessible surface: 552.407	Positive charged surface: 281.507	Negative charged surface: 270.901	Volume: 282.625
Hydrophobic surface: 464.795	Hydrophilic surface: 87.612

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.