MMsINC Database Search


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MMsINC code: MMs01304889

Type: Neutral
Formula: C₁₀H₁₄ClNO₃S

SMILES:

Clc1ccc(N(S(=O)(=O)CCCC)O)cc1

InChI:

InChI=1/C10H14ClNO3S/c1-2-3-8-16(14,15)12(13)10-6-4-9(11)5-7-10/h4-7,13H,2-3,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1362 kcal/mol

Physical Properties
Molecular Weight: 263.745 g/mol	logS: -2.80474	SlogP: 2.6655	Reactive groups: 0

Topological Properties
Globularity: 0.0635584	Sterimol/B1: 2.9526	Sterimol/B2: 4.05706	Sterimol/B3: 4.29306
Sterimol/B4: 5.34844	Sterimol/L: 13.9852

Surface and Volume Properties
Accessible surface: 460.709	Positive charged surface: 222.339	Negative charged surface: 238.37	Volume: 225.125
Hydrophobic surface: 340.113	Hydrophilic surface: 120.596

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.