MMsINC Database Search


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MMsINC code: MMs02735423

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1NC(=O)N(Cc1ccccc1)Cc1occc1

InChI:

InChI=1/C19H16Cl2N2O2/c20-15-8-9-18(17(21)11-15)22-19(24)23(13-16-7-4-10-25-16)12-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.4154 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -6.07815	SlogP: 6.3535	Reactive groups: 0

Topological Properties
Globularity: 0.132316	Sterimol/B1: 2.94296	Sterimol/B2: 4.21782	Sterimol/B3: 4.42263
Sterimol/B4: 9.75994	Sterimol/L: 15.4607

Surface and Volume Properties
Accessible surface: 605.199	Positive charged surface: 258.436	Negative charged surface: 346.763	Volume: 334.875
Hydrophobic surface: 569.55	Hydrophilic surface: 35.649

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.