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MMsINC code: MMs02717053

Type: Neutral
Formula: C₁₈H₁₉ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C18H19ClN2O3S/c1-13-5-2-3-6-16(13)20-18(22)17-7-4-12-21(17)25(23,24)15-10-8-14(19)9-11-15/h2-3,5-6,8-11,17H,4,7,12H2,1H3,(H,20,22)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.3306 kcal/mol

Physical Properties
Molecular Weight: 378.88 g/mol	logS: -4.74201	SlogP: 3.44022	Reactive groups: 0

Topological Properties
Globularity: 0.147689	Sterimol/B1: 2.14327	Sterimol/B2: 4.55386	Sterimol/B3: 6.11198
Sterimol/B4: 7.64553	Sterimol/L: 15.1534

Surface and Volume Properties
Accessible surface: 598.092	Positive charged surface: 308.949	Negative charged surface: 289.143	Volume: 336.5
Hydrophobic surface: 537.532	Hydrophilic surface: 60.56

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.