MMsINC Database Search


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MMsINC code: MMs01455013

Type: Neutral
Formula: C₁₉H₂₀ClFN₂O₄S

SMILES:

Clc1cccc(F)c1C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1

InChI:

InChI=1/C19H20ClFN2O4S/c1-2-27-14-6-8-15(9-7-14)28(25,26)23-12-10-22(11-13-23)19(24)18-16(20)4-3-5-17(18)21/h3-9H,2,10-13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.5074 kcal/mol

Physical Properties
Molecular Weight: 426.896 g/mol	logS: -4.68862	SlogP: 3.0245	Reactive groups: 0

Topological Properties
Globularity: 0.072948	Sterimol/B1: 3.35324	Sterimol/B2: 3.58043	Sterimol/B3: 5.36911
Sterimol/B4: 6.74714	Sterimol/L: 19.0263

Surface and Volume Properties
Accessible surface: 644.911	Positive charged surface: 350.895	Negative charged surface: 294.016	Volume: 364.125
Hydrophobic surface: 532.858	Hydrophilic surface: 112.053

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.