MMsINC Database Search


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MMsINC code: MMs03966043

Type: Neutral
Formula: C₁₅H₁₀Cl₂N₂O

SMILES:

Clc1ccc(NC(=O)c2[nH]c3c(c2)cc(Cl)cc3)cc1

InChI:

InChI=1/C15H10Cl2N2O/c16-10-1-4-12(5-2-10)18-15(20)14-8-9-7-11(17)3-6-13(9)19-14/h1-8,19H,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.8246 kcal/mol

Physical Properties
Molecular Weight: 305.164 g/mol	logS: -5.26627	SlogP: 4.727	Reactive groups: 0

Topological Properties
Globularity: 0.0120107	Sterimol/B1: 2.12689	Sterimol/B2: 2.91702	Sterimol/B3: 3.03474
Sterimol/B4: 4.9125	Sterimol/L: 18.4072

Surface and Volume Properties
Accessible surface: 511.718	Positive charged surface: 200.027	Negative charged surface: 306.31	Volume: 262
Hydrophobic surface: 446.306	Hydrophilic surface: 65.412

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	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.