MMsINC Database Search


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MMsINC code: MMs02952605

Type: Neutral
Formula: C₁₉H₂₄N₂O₃S

SMILES:

S(=O)(=O)(N(C(C(=O)NCc1ccccc1C)C)c1ccc(cc1)C)C

InChI:

InChI=1/C19H24N2O3S/c1-14-9-11-18(12-10-14)21(25(4,23)24)16(3)19(22)20-13-17-8-6-5-7-15(17)2/h5-12,16H,13H2,1-4H3,(H,20,22)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8058 kcal/mol

Physical Properties
Molecular Weight: 360.478 g/mol	logS: -4.51396	SlogP: 3.04074	Reactive groups: 0

Topological Properties
Globularity: 0.128879	Sterimol/B1: 2.41646	Sterimol/B2: 3.72537	Sterimol/B3: 4.40168
Sterimol/B4: 9.17474	Sterimol/L: 16.8189

Surface and Volume Properties
Accessible surface: 617.894	Positive charged surface: 359.28	Negative charged surface: 258.614	Volume: 350.5
Hydrophobic surface: 517.948	Hydrophilic surface: 99.946

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.