MMsINC Database Search


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MMsINC code: MMs00659937

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₂

SMILES:

Clc1cc(ccc1Cl)CNC(=O)c1c(noc1C)-c1ccccc1

InChI:

InChI=1/C18H14Cl2N2O2/c1-11-16(17(22-24-11)13-5-3-2-4-6-13)18(23)21-10-12-7-8-14(19)15(20)9-12/h2-9H,10H2,1H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.908 kcal/mol

Physical Properties
Molecular Weight: 361.228 g/mol	logS: -6.12241	SlogP: 5.15322	Reactive groups: 0

Topological Properties
Globularity: 0.0727775	Sterimol/B1: 2.38969	Sterimol/B2: 3.53975	Sterimol/B3: 4.16586
Sterimol/B4: 9.97471	Sterimol/L: 15.5657

Surface and Volume Properties
Accessible surface: 583.038	Positive charged surface: 236.013	Negative charged surface: 347.025	Volume: 317.5
Hydrophobic surface: 512.96	Hydrophilic surface: 70.078

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.