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MMsINC code: MMs00200903

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C(NC(=O)CC)c1ccc2c(nccc2)c1O

InChI:

InChI=1/C19H16Cl2N2O2/c1-2-16(24)23-18(13-8-6-12(20)10-15(13)21)14-7-5-11-4-3-9-22-17(11)19(14)25/h3-10,18,25H,2H2,1H3,(H,23,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.6286 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -5.20321	SlogP: 4.9583	Reactive groups: 0

Topological Properties
Globularity: 0.212092	Sterimol/B1: 2.50215	Sterimol/B2: 2.96049	Sterimol/B3: 5.53633
Sterimol/B4: 9.68364	Sterimol/L: 14.7207

Surface and Volume Properties
Accessible surface: 584.866	Positive charged surface: 312.167	Negative charged surface: 267.413	Volume: 328.125
Hydrophobic surface: 483.445	Hydrophilic surface: 101.421

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.