MMsINC Database Search


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MMsINC code: MMs00440943

Type: Neutral
Formula: C₁₄H₁₁ClN₂O₃S

SMILES:

Clc1cc2-c3c(S(=O)(=O)N(c2cc1)CC(=O)N)cccc3

InChI:

InChI=1/C14H11ClN2O3S/c15-9-5-6-12-11(7-9)10-3-1-2-4-13(10)21(19,20)17(12)8-14(16)18/h1-7H,8H2,(H2,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1591 kcal/mol

Physical Properties
Molecular Weight: 322.772 g/mol	logS: -4.91603	SlogP: 2.001	Reactive groups: 0

Topological Properties
Globularity: 0.0535504	Sterimol/B1: 2.71696	Sterimol/B2: 4.25635	Sterimol/B3: 4.50288
Sterimol/B4: 7.43918	Sterimol/L: 13.3245

Surface and Volume Properties
Accessible surface: 486.296	Positive charged surface: 205.964	Negative charged surface: 270.893	Volume: 261
Hydrophobic surface: 328.467	Hydrophilic surface: 157.829

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.