MMsINC Database Search


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MMsINC code: MMs02913758

Type: Neutral
Formula: C₁₀H₁₀Cl₃NO

SMILES:

ClC(Cl)(Cl)C(=O)NCc1ccc(cc1)C

InChI:

InChI=1/C10H10Cl3NO/c1-7-2-4-8(5-3-7)6-14-9(15)10(11,12)13/h2-5H,6H2,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.9459 kcal/mol

Physical Properties
Molecular Weight: 266.555 g/mol	logS: -4.41269	SlogP: 3.66772	Reactive groups: 0

Topological Properties
Globularity: 0.100694	Sterimol/B1: 3.38882	Sterimol/B2: 3.61574	Sterimol/B3: 3.62124
Sterimol/B4: 3.90655	Sterimol/L: 14.5515

Surface and Volume Properties
Accessible surface: 465.483	Positive charged surface: 169.904	Negative charged surface: 295.579	Volume: 220.25
Hydrophobic surface: 246.261	Hydrophilic surface: 219.222

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.