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MMsINC code: MMs00175363

Type: Neutral
Formula: C₁₇H₂₄Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NC(CCC)C

InChI:

InChI=1/C17H24Cl2N2O3S/c1-3-4-12(2)20-17(22)13-7-9-21(10-8-13)25(23,24)16-11-14(18)5-6-15(16)19/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,20,22)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=30.0578 kcal/mol

Physical Properties
Molecular Weight: 407.362 g/mol	logS: -4.61986	SlogP: 3.6989	Reactive groups: 0

Topological Properties
Globularity: 0.0511039	Sterimol/B1: 2.53461	Sterimol/B2: 3.49387	Sterimol/B3: 4.21274
Sterimol/B4: 7.19837	Sterimol/L: 17.5562

Surface and Volume Properties
Accessible surface: 639.888	Positive charged surface: 352.979	Negative charged surface: 286.91	Volume: 358
Hydrophobic surface: 512.55	Hydrophilic surface: 127.338

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.