MMsINC Database Search


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MMsINC code: MMs00662881

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1ccccc1-c1noc(C)c1C(=O)NCCc1cc(Cl)ccc1

InChI:

InChI=1/C19H16Cl2N2O2/c1-12-17(18(23-25-12)15-7-2-3-8-16(15)21)19(24)22-10-9-13-5-4-6-14(20)11-13/h2-8,11H,9-10H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.9018 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -6.18388	SlogP: 4.92929	Reactive groups: 0

Topological Properties
Globularity: 0.0704498	Sterimol/B1: 2.26342	Sterimol/B2: 3.42583	Sterimol/B3: 4.65353
Sterimol/B4: 10.2561	Sterimol/L: 15.8324

Surface and Volume Properties
Accessible surface: 630.54	Positive charged surface: 281.62	Negative charged surface: 348.919	Volume: 338.75
Hydrophobic surface: 578.436	Hydrophilic surface: 52.104

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.