MMsINC Database Search


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MMsINC code: MMs02957633

Type: Neutral
Formula: C₂₁H₁₆Cl₂N₂O

SMILES:

Clc1cc(Cl)ccc1\C=C\C(=O)N(Cc1ccccc1)c1ncccc1

InChI:

InChI=1/C21H16Cl2N2O/c22-18-11-9-17(19(23)14-18)10-12-21(26)25(20-8-4-5-13-24-20)15-16-6-2-1-3-7-16/h1-14H,15H2/b12-10+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.532 kcal/mol

Physical Properties
Molecular Weight: 383.278 g/mol	logS: -6.0443	SlogP: 5.9014	Reactive groups: 0

Topological Properties
Globularity: 0.0728407	Sterimol/B1: 2.33536	Sterimol/B2: 2.34832	Sterimol/B3: 4.79341
Sterimol/B4: 9.0137	Sterimol/L: 17.313

Surface and Volume Properties
Accessible surface: 610.797	Positive charged surface: 276.457	Negative charged surface: 334.34	Volume: 351.625
Hydrophobic surface: 560.921	Hydrophilic surface: 49.876

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.