MMsINC Database Search


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MMsINC code: MMs01507394

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(CC)CC)c1ccc(cc1)C(=O)Nc1ccccc1CC

InChI:

InChI=1/C19H24N2O3S/c1-4-15-9-7-8-10-18(15)20-19(22)16-11-13-17(14-12-16)25(23,24)21(5-2)6-3/h7-14H,4-6H2,1-3H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.0887 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.59854	SlogP: 3.53177	Reactive groups: 0

Topological Properties
Globularity: 0.0489206	Sterimol/B1: 2.47285	Sterimol/B2: 2.97698	Sterimol/B3: 4.74519
Sterimol/B4: 7.243	Sterimol/L: 17.7499

Surface and Volume Properties
Accessible surface: 611.929	Positive charged surface: 358.973	Negative charged surface: 252.956	Volume: 348.875
Hydrophobic surface: 468.285	Hydrophilic surface: 143.644

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.