MMsINC Database Search


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MMsINC code: MMs02248239

Type: Neutral
Formula: C₁₀H₁₀N₂O₃S

SMILES:

S(O)(=O)(=O)c1cc2c(cc1)c(N)ccc2N

InChI:

InChI=1/C10H10N2O3S/c11-9-3-4-10(12)8-5-6(16(13,14)15)1-2-7(8)9/h1-5H,11-12H2,(H,13,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.4004 kcal/mol

Physical Properties
Molecular Weight: 238.267 g/mol	logS: -2.75459	SlogP: 0.6852	Reactive groups: 0

Topological Properties
Globularity: 0.0248711	Sterimol/B1: 2.50539	Sterimol/B2: 2.71108	Sterimol/B3: 3.08221
Sterimol/B4: 6.65632	Sterimol/L: 12.0527

Surface and Volume Properties
Accessible surface: 401.392	Positive charged surface: 198.308	Negative charged surface: 192.013	Volume: 194.25
Hydrophobic surface: 177.35	Hydrophilic surface: 224.042

Pharmacophoric Properties
Hydrogen bond donors: 5	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

MMs02248240
NCID-ZINC01593842