MMsINC Database Search


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MMsINC code: MMs03000487

Type: Neutral
Formula: C₁₈H₁₈N₂O₂S

SMILES:

S(=O)(=O)(Nc1ccc(N(C)C)cc1)c1cc2c(cc1)cccc2

InChI:

InChI=1/C18H18N2O2S/c1-20(2)17-10-8-16(9-11-17)19-23(21,22)18-12-7-14-5-3-4-6-15(14)13-18/h3-13,19H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2991 kcal/mol

Physical Properties
Molecular Weight: 326.42 g/mol	logS: -4.85201	SlogP: 3.7066	Reactive groups: 0

Topological Properties
Globularity: 0.145455	Sterimol/B1: 2.74996	Sterimol/B2: 2.97772	Sterimol/B3: 5.15144
Sterimol/B4: 7.62073	Sterimol/L: 14.9021

Surface and Volume Properties
Accessible surface: 553.626	Positive charged surface: 338.898	Negative charged surface: 204.31	Volume: 306.625
Hydrophobic surface: 473.108	Hydrophilic surface: 80.518

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.