MMsINC Database Search


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MMsINC code: MMs03177813

Type: Neutral
Formula: C₁₄H₁₆N₂O₃S

SMILES:

S(=O)(=O)(NC(C(=O)NC)C)c1cc2c(cc1)cccc2

InChI:

InChI=1/C14H16N2O3S/c1-10(14(17)15-2)16-20(18,19)13-8-7-11-5-3-4-6-12(11)9-13/h3-10,16H,1-2H3,(H,15,17)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8723 kcal/mol

Physical Properties
Molecular Weight: 292.359 g/mol	logS: -3.60052	SlogP: 1.2526	Reactive groups: 0

Topological Properties
Globularity: 0.0869223	Sterimol/B1: 2.4026	Sterimol/B2: 4.18841	Sterimol/B3: 5.35157
Sterimol/B4: 5.74653	Sterimol/L: 14.9107

Surface and Volume Properties
Accessible surface: 502.121	Positive charged surface: 290.647	Negative charged surface: 204.12	Volume: 265.375
Hydrophobic surface: 359.194	Hydrophilic surface: 142.927

Pharmacophoric Properties
Hydrogen bond donors: 2	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.