MMsINC Database Search


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MMsINC code: MMs02615703

Type: Neutral
Formula: C₁₉H₂₀N₂O₄S

SMILES:

S(=O)(=O)(C)c1cc2NC(=O)C(N(c2cc1)C(=O)c1ccccc1)C(C)C

InChI:

InChI=1/C19H20N2O4S/c1-12(2)17-18(22)20-15-11-14(26(3,24)25)9-10-16(15)21(17)19(23)13-7-5-4-6-8-13/h4-12,17H,1-3H3,(H,20,22)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.923 kcal/mol

Physical Properties
Molecular Weight: 372.445 g/mol	logS: -4.47125	SlogP: 2.7136	Reactive groups: 0

Topological Properties
Globularity: 0.0982413	Sterimol/B1: 2.24226	Sterimol/B2: 3.52446	Sterimol/B3: 4.35001
Sterimol/B4: 8.14132	Sterimol/L: 16.5229

Surface and Volume Properties
Accessible surface: 569.929	Positive charged surface: 298.765	Negative charged surface: 271.164	Volume: 332.125
Hydrophobic surface: 389.684	Hydrophilic surface: 180.245

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.