MMsINC Database Search


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MMsINC code: MMs00289874

Type: Neutral
Formula: C₁₅H₁₄ClNO₂S

SMILES:

Clc1ccc(S(=O)(=O)N2CCCc3c2cccc3)cc1

InChI:

InChI=1/C15H14ClNO2S/c16-13-7-9-14(10-8-13)20(18,19)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4436 kcal/mol

Physical Properties
Molecular Weight: 307.801 g/mol	logS: -4.24223	SlogP: 3.48147	Reactive groups: 0

Topological Properties
Globularity: 0.120373	Sterimol/B1: 2.5054	Sterimol/B2: 3.59079	Sterimol/B3: 4.57722
Sterimol/B4: 7.29267	Sterimol/L: 13.4673

Surface and Volume Properties
Accessible surface: 486.844	Positive charged surface: 234.045	Negative charged surface: 252.799	Volume: 268.75
Hydrophobic surface: 433.984	Hydrophilic surface: 52.86

Pharmacophoric Properties
Hydrogen bond donors: 0	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.