MMsINC Database Search


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MMsINC code: MMs01238713

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₃S

SMILES:

Clc1ccccc1NC(=O)CN(S(=O)(=O)c1ccc(Cl)cc1)C

InChI:

InChI=1/C15H14Cl2N2O3S/c1-19(23(21,22)12-8-6-11(16)7-9-12)10-15(20)18-14-5-3-2-4-13(14)17/h2-9H,10H2,1H3,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.8361 kcal/mol

Physical Properties
Molecular Weight: 373.26 g/mol	logS: -4.76345	SlogP: 3.2526	Reactive groups: 0

Topological Properties
Globularity: 0.0691906	Sterimol/B1: 2.41594	Sterimol/B2: 2.78122	Sterimol/B3: 5.11037
Sterimol/B4: 6.32519	Sterimol/L: 18.1227

Surface and Volume Properties
Accessible surface: 578.897	Positive charged surface: 261.856	Negative charged surface: 317.041	Volume: 308.125
Hydrophobic surface: 496.871	Hydrophilic surface: 82.026

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.