MMsINC Database Search


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MMsINC code: MMs00610585

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1C(=O)Nc1cc(ccc1O)C

InChI:

InChI=1/C14H11Cl2NO2/c1-8-2-5-13(18)12(6-8)17-14(19)10-4-3-9(15)7-11(10)16/h2-7,18H,1H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.6395 kcal/mol

Physical Properties
Molecular Weight: 296.153 g/mol	logS: -4.93542	SlogP: 4.25972	Reactive groups: 0

Topological Properties
Globularity: 0.0250565	Sterimol/B1: 2.52927	Sterimol/B2: 2.91756	Sterimol/B3: 3.4314
Sterimol/B4: 6.67323	Sterimol/L: 15.4721

Surface and Volume Properties
Accessible surface: 496.674	Positive charged surface: 223.749	Negative charged surface: 272.925	Volume: 253.75
Hydrophobic surface: 427.444	Hydrophilic surface: 69.23

Pharmacophoric Properties
Hydrogen bond donors: 2	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.