MMsINC Database Search


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MMsINC code: MMs01382340

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(NC(C)C)c1cc(ccc1)C(=O)N(Cc1ccccc1C)C

InChI:

InChI=1/C19H24N2O3S/c1-14(2)20-25(23,24)18-11-7-10-16(12-18)19(22)21(4)13-17-9-6-5-8-15(17)3/h5-12,14,20H,13H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4233 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.15924	SlogP: 3.22032	Reactive groups: 0

Topological Properties
Globularity: 0.119577	Sterimol/B1: 2.222	Sterimol/B2: 3.45473	Sterimol/B3: 6.38561
Sterimol/B4: 7.10016	Sterimol/L: 15.9964

Surface and Volume Properties
Accessible surface: 615.239	Positive charged surface: 364.211	Negative charged surface: 251.028	Volume: 345
Hydrophobic surface: 465.016	Hydrophilic surface: 150.223

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.