MMsINC Database Search


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MMsINC code: MMs00621058

Type: Neutral
Formula: C₁₆H₁₀Cl₂N₂O₃

SMILES:

Clc1cc(Cl)ccc1NC(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C16H10Cl2N2O3/c17-9-5-6-13(12(18)7-9)19-14(21)8-20-15(22)10-3-1-2-4-11(10)16(20)23/h1-7H,8H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3898 kcal/mol

Physical Properties
Molecular Weight: 349.173 g/mol	logS: -5.39974	SlogP: 3.2281	Reactive groups: 0

Topological Properties
Globularity: 0.0786338	Sterimol/B1: 2.98853	Sterimol/B2: 3.8256	Sterimol/B3: 5.28675
Sterimol/B4: 5.28944	Sterimol/L: 16.5056

Surface and Volume Properties
Accessible surface: 556.654	Positive charged surface: 233.462	Negative charged surface: 323.192	Volume: 287.75
Hydrophobic surface: 443.544	Hydrophilic surface: 113.11

Pharmacophoric Properties
Hydrogen bond donors: 1	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.