MMsINC Database Search


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MMsINC code: MMs01438226

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1C(NC(=O)c1cc(OC)ccc1)C

InChI:

InChI=1/C16H15Cl2NO2/c1-10(14-7-6-12(17)9-15(14)18)19-16(20)11-4-3-5-13(8-11)21-2/h3-10H,1-2H3,(H,19,20)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.0038 kcal/mol

Physical Properties
Molecular Weight: 324.207 g/mol	logS: -5.14508	SlogP: 4.5885	Reactive groups: 0

Topological Properties
Globularity: 0.0451708	Sterimol/B1: 2.31227	Sterimol/B2: 2.3663	Sterimol/B3: 4.82153
Sterimol/B4: 6.67125	Sterimol/L: 17.3359

Surface and Volume Properties
Accessible surface: 549.389	Positive charged surface: 264.459	Negative charged surface: 284.93	Volume: 292.75
Hydrophobic surface: 487.681	Hydrophilic surface: 61.708

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.