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MMsINC code: MMs03643975

Type: Neutral
Formula: C₁₇H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(ccc1Cl)C(N1CCCC1C(O)=O)c1ncccc1

InChI:

InChI=1/C17H16Cl2N2O2/c18-12-7-6-11(10-13(12)19)16(14-4-1-2-8-20-14)21-9-3-5-15(21)17(22)23/h1-2,4,6-8,10,15-16H,3,5,9H2,(H,22,23)/t15-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.572 kcal/mol

Physical Properties
Molecular Weight: 351.233 g/mol	logS: -3.93581	SlogP: 4.1223	Reactive groups: 0

Topological Properties
Globularity: 0.246975	Sterimol/B1: 2.78508	Sterimol/B2: 5.41302	Sterimol/B3: 6.09415
Sterimol/B4: 7.14372	Sterimol/L: 12.6877

Surface and Volume Properties
Accessible surface: 546.284	Positive charged surface: 303.784	Negative charged surface: 242.5	Volume: 308.5
Hydrophobic surface: 482.512	Hydrophilic surface: 63.772

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.