MMsINC Database Search


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MMsINC code: MMs00621956

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₂

SMILES:

Clc1cc(ccc1C(=O)Nc1cc(Cl)c(OC)cc1)C

InChI:

InChI=1/C15H13Cl2NO2/c1-9-3-5-11(12(16)7-9)15(19)18-10-4-6-14(20-2)13(17)8-10/h3-8H,1-2H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.0218 kcal/mol

Physical Properties
Molecular Weight: 310.18 g/mol	logS: -5.34775	SlogP: 4.56272	Reactive groups: 0

Topological Properties
Globularity: 0.0152234	Sterimol/B1: 3.04615	Sterimol/B2: 3.04965	Sterimol/B3: 3.20234
Sterimol/B4: 5.42061	Sterimol/L: 17.3587

Surface and Volume Properties
Accessible surface: 534.03	Positive charged surface: 275.671	Negative charged surface: 258.359	Volume: 273.875
Hydrophobic surface: 498.912	Hydrophilic surface: 35.118

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.