MMsINC Database Search


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MMsINC code: MMs02763664

Type: Neutral
Formula: C₁₉H₁₈N₂O₃S

SMILES:

S(=O)(=O)(Nc1ccc(cc1)Cc1ccncc1)c1ccc(OC)cc1

InChI:

InChI=1/C19H18N2O3S/c1-24-18-6-8-19(9-7-18)25(22,23)21-17-4-2-15(3-5-17)14-16-10-12-20-13-11-16/h2-13,21H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.7915 kcal/mol

Physical Properties
Molecular Weight: 354.43 g/mol	logS: -3.95534	SlogP: 3.48177	Reactive groups: 0

Topological Properties
Globularity: 0.0835877	Sterimol/B1: 2.37845	Sterimol/B2: 3.6209	Sterimol/B3: 4.01462
Sterimol/B4: 7.89891	Sterimol/L: 17.0561

Surface and Volume Properties
Accessible surface: 588.518	Positive charged surface: 392.467	Negative charged surface: 196.051	Volume: 328.75
Hydrophobic surface: 480.519	Hydrophilic surface: 107.999

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