MMsINC Database Search


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MMsINC code: MMs02190029

Type: Neutral
Formula: C₁₄H₁₄N₂O₂S

SMILES:

S(=O)(=O)(N\N=C\c1ccccc1)c1ccc(cc1)C

InChI:

InChI=1/C14H14N2O2S/c1-12-7-9-14(10-8-12)19(17,18)16-15-11-13-5-3-2-4-6-13/h2-11,16H,1H3/b15-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.7062 kcal/mol

Physical Properties
Molecular Weight: 274.344 g/mol	logS: -3.98656	SlogP: 2.30742	Reactive groups: 0

Topological Properties
Globularity: 0.0917579	Sterimol/B1: 2.38291	Sterimol/B2: 2.58602	Sterimol/B3: 4.85712
Sterimol/B4: 7.81159	Sterimol/L: 14.4058

Surface and Volume Properties
Accessible surface: 509.46	Positive charged surface: 269.025	Negative charged surface: 240.435	Volume: 253.875
Hydrophobic surface: 400.89	Hydrophilic surface: 108.57

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.