MMsINC Database Search


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MMsINC code: MMs02321585

Type: Neutral
Formula: C₁₄H₁₂Cl₂O

SMILES:

Clc1ccccc1C(CO)c1ccc(Cl)cc1

InChI:

InChI=1/C14H12Cl2O/c15-11-7-5-10(6-8-11)13(9-17)12-3-1-2-4-14(12)16/h1-8,13,17H,9H2/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.4153 kcal/mol

Physical Properties
Molecular Weight: 267.155 g/mol	logS: -4.32841	SlogP: 4.1176	Reactive groups: 0

Topological Properties
Globularity: 0.312076	Sterimol/B1: 2.43699	Sterimol/B2: 3.34418	Sterimol/B3: 6.0051
Sterimol/B4: 6.1619	Sterimol/L: 12.7956

Surface and Volume Properties
Accessible surface: 459.874	Positive charged surface: 209.002	Negative charged surface: 250.873	Volume: 243.125
Hydrophobic surface: 412.364	Hydrophilic surface: 47.51

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.