MMsINC Database Search


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MMsINC code: MMs03432021

Type: Neutral
Formula: C₁₈H₁₇Cl₂NO₂

SMILES:

Clc1cc(ccc1)C(=O)N1CCC(O)(CC1)c1ccc(Cl)cc1

InChI:

InChI=1/C18H17Cl2NO2/c19-15-6-4-14(5-7-15)18(23)8-10-21(11-9-18)17(22)13-2-1-3-16(20)12-13/h1-7,12,23H,8-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.3666 kcal/mol

Physical Properties
Molecular Weight: 350.245 g/mol	logS: -5.01134	SlogP: 4.4287	Reactive groups: 0

Topological Properties
Globularity: 0.158358	Sterimol/B1: 2.70069	Sterimol/B2: 3.01588	Sterimol/B3: 5.65408
Sterimol/B4: 5.83195	Sterimol/L: 16.4337

Surface and Volume Properties
Accessible surface: 565.171	Positive charged surface: 265.232	Negative charged surface: 299.94	Volume: 313.5
Hydrophobic surface: 506.32	Hydrophilic surface: 58.851

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.