MMsINC Database Search


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MMsINC code: MMs02569681

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₄

SMILES:

Clc1cccc(NC(=O)COC(=O)CNC(=O)c2ccc(Cl)cc2)c1C

InChI:

InChI=1/C18H16Cl2N2O4/c1-11-14(20)3-2-4-15(11)22-16(23)10-26-17(24)9-21-18(25)12-5-7-13(19)8-6-12/h2-8H,9-10H2,1H3,(H,21,25)(H,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1396 kcal/mol

Physical Properties
Molecular Weight: 395.242 g/mol	logS: -5.56466	SlogP: 3.21352	Reactive groups: 1

Topological Properties
Globularity: 0.00944155	Sterimol/B1: 2.07524	Sterimol/B2: 2.53152	Sterimol/B3: 3.33843
Sterimol/B4: 6.67312	Sterimol/L: 22.5353

Surface and Volume Properties
Accessible surface: 659.842	Positive charged surface: 317.116	Negative charged surface: 342.726	Volume: 337.375
Hydrophobic surface: 529.632	Hydrophilic surface: 130.21

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.