MMsINC Database Search


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MMsINC code: MMs00612306

Type: Neutral
Formula: C₁₃H₁₀Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)Nc2ccccc2O)ccc1Cl

InChI:

InChI=1/C13H10Cl2N2O2/c14-9-6-5-8(7-10(9)15)16-13(19)17-11-3-1-2-4-12(11)18/h1-7,18H,(H2,16,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.3027 kcal/mol

Physical Properties
Molecular Weight: 297.141 g/mol	logS: -4.35868	SlogP: 4.343	Reactive groups: 0

Topological Properties
Globularity: 0.046059	Sterimol/B1: 2.12355	Sterimol/B2: 3.11943	Sterimol/B3: 4.44646
Sterimol/B4: 5.61107	Sterimol/L: 15.5281

Surface and Volume Properties
Accessible surface: 495.408	Positive charged surface: 227.409	Negative charged surface: 268	Volume: 248.5
Hydrophobic surface: 394.681	Hydrophilic surface: 100.727

Pharmacophoric Properties
Hydrogen bond donors: 3	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.