MMsINC Database Search


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MMsINC code: MMs02930513

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO

SMILES:

Clc1ccccc1CC(=O)NCc1ccc(Cl)cc1

InChI:

InChI=1/C15H13Cl2NO/c16-13-7-5-11(6-8-13)10-18-15(19)9-12-3-1-2-4-14(12)17/h1-8H,9-10H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.0831 kcal/mol

Physical Properties
Molecular Weight: 294.181 g/mol	logS: -4.82896	SlogP: 4.11867	Reactive groups: 0

Topological Properties
Globularity: 0.039749	Sterimol/B1: 2.44844	Sterimol/B2: 3.0977	Sterimol/B3: 3.27209
Sterimol/B4: 5.9047	Sterimol/L: 17.4435

Surface and Volume Properties
Accessible surface: 528.067	Positive charged surface: 247.106	Negative charged surface: 280.961	Volume: 267.25
Hydrophobic surface: 484.18	Hydrophilic surface: 43.887

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.