MMsINC Database Search


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MMsINC code: MMs01509129

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C)C)c1ccc(cc1)C(=O)NC(CCc1ccccc1)C

InChI:

InChI=1/C19H24N2O3S/c1-15(9-10-16-7-5-4-6-8-16)20-19(22)17-11-13-18(14-12-17)25(23,24)21(2)3/h4-8,11-15H,9-10H2,1-3H3,(H,20,22)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6725 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -3.80292	SlogP: 2.68797	Reactive groups: 0

Topological Properties
Globularity: 0.058402	Sterimol/B1: 2.23827	Sterimol/B2: 3.18482	Sterimol/B3: 4.31245
Sterimol/B4: 8.73865	Sterimol/L: 17.8015

Surface and Volume Properties
Accessible surface: 644.687	Positive charged surface: 401.985	Negative charged surface: 242.702	Volume: 351.25
Hydrophobic surface: 535.728	Hydrophilic surface: 108.959

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.