MMsINC Database Search


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MMsINC code: MMs03785296

Type: Neutral
Formula: C₁₉H₁₅Cl₂N₃O

SMILES:

Clc1cc(NC(=O)NN(c2ccccc2)c2ccccc2)ccc1Cl

InChI:

InChI=1/C19H15Cl2N3O/c20-17-12-11-14(13-18(17)21)22-19(25)23-24(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H2,22,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.56 kcal/mol

Physical Properties
Molecular Weight: 372.255 g/mol	logS: -6.31736	SlogP: 5.8682	Reactive groups: 0

Topological Properties
Globularity: 0.154815	Sterimol/B1: 2.45202	Sterimol/B2: 3.97951	Sterimol/B3: 5.21173
Sterimol/B4: 9.43584	Sterimol/L: 16.1045

Surface and Volume Properties
Accessible surface: 601.721	Positive charged surface: 261.843	Negative charged surface: 339.878	Volume: 331.25
Hydrophobic surface: 549.253	Hydrophilic surface: 52.468

Pharmacophoric Properties
Hydrogen bond donors: 2	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.