MMsINC Database Search


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MMsINC code: MMs02125459

Type: Neutral
Formula: C₁₉H₁₂Cl₂N₂O₂

SMILES:

Clc1cc(Cl)ccc1C1=C(c2c3c(n(c2)C)cccc3)C(=O)NC1=O

InChI:

InChI=1/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.1041 kcal/mol

Physical Properties
Molecular Weight: 371.223 g/mol	logS: -6.01255	SlogP: 4.4115	Reactive groups: 1

Topological Properties
Globularity: 0.344011	Sterimol/B1: 2.58718	Sterimol/B2: 3.75283	Sterimol/B3: 6.41011
Sterimol/B4: 7.75687	Sterimol/L: 12.2764

Surface and Volume Properties
Accessible surface: 565.109	Positive charged surface: 262.1	Negative charged surface: 299.643	Volume: 319.375
Hydrophobic surface: 437.349	Hydrophilic surface: 127.76

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.