MMsINC Database Search


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MMsINC code: MMs02298196

Type: Neutral
Formula: C₁₅H₇Cl₂NO₃

SMILES:

Clc1cc(N2C(=O)C(=O)c3c(cccc3)C2=O)cc(Cl)c1

InChI:

InChI=1/C15H7Cl2NO3/c16-8-5-9(17)7-10(6-8)18-14(20)12-4-2-1-3-11(12)13(19)15(18)21/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.3685 kcal/mol

Physical Properties
Molecular Weight: 320.131 g/mol	logS: -5.55852	SlogP: 3.3631	Reactive groups: 0

Topological Properties
Globularity: 0.0971744	Sterimol/B1: 3.95973	Sterimol/B2: 4.74394	Sterimol/B3: 4.74579
Sterimol/B4: 4.95842	Sterimol/L: 14.2668

Surface and Volume Properties
Accessible surface: 490.846	Positive charged surface: 171.737	Negative charged surface: 319.109	Volume: 258.375
Hydrophobic surface: 384.711	Hydrophilic surface: 106.135

Pharmacophoric Properties
Hydrogen bond donors: 0	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.