MMsINC Database Search


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MMsINC code: MMs01524973

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₂

SMILES:

Clc1c(cccc1Cl)C(=O)NCc1ccccc1OC

InChI:

InChI=1/C15H13Cl2NO2/c1-20-13-8-3-2-5-10(13)9-18-15(19)11-6-4-7-12(16)14(11)17/h2-8H,9H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.6675 kcal/mol

Physical Properties
Molecular Weight: 310.18 g/mol	logS: -4.81787	SlogP: 4.1984	Reactive groups: 0

Topological Properties
Globularity: 0.13773	Sterimol/B1: 2.21891	Sterimol/B2: 3.48441	Sterimol/B3: 5.12402
Sterimol/B4: 7.05834	Sterimol/L: 15.4917

Surface and Volume Properties
Accessible surface: 532.279	Positive charged surface: 280.313	Negative charged surface: 251.966	Volume: 273.375
Hydrophobic surface: 493.743	Hydrophilic surface: 38.536

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.