MMsINC Database Search


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MMsINC code: MMs02783504

Type: Neutral
Formula: C₁₅H₁₄Cl₂N₂O₃S

SMILES:

Clc1cc(ccc1Cl)CN(S(=O)(=O)c1ccccc1)CC(=O)N

InChI:

InChI=1/C15H14Cl2N2O3S/c16-13-7-6-11(8-14(13)17)9-19(10-15(18)20)23(21,22)12-4-2-1-3-5-12/h1-8H,9-10H2,(H2,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.1445 kcal/mol

Physical Properties
Molecular Weight: 373.26 g/mol	logS: -4.81348	SlogP: 2.936	Reactive groups: 0

Topological Properties
Globularity: 0.0860547	Sterimol/B1: 2.80774	Sterimol/B2: 3.98265	Sterimol/B3: 4.71279
Sterimol/B4: 6.91591	Sterimol/L: 16.0281

Surface and Volume Properties
Accessible surface: 553.896	Positive charged surface: 246.023	Negative charged surface: 307.872	Volume: 306.125
Hydrophobic surface: 414.156	Hydrophilic surface: 139.74

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.