MMsINC Database Search


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MMsINC code: MMs02010225

Type: Neutral
Formula: C₂₅H₂₅NS

SMILES:

S(Cc1cc(ccc1)C)c1c2c(n(c1)Cc1cc(ccc1C)C)cccc2

InChI:

InChI=1/C25H25NS/c1-18-7-6-8-21(13-18)17-27-25-16-26(24-10-5-4-9-23(24)25)15-22-14-19(2)11-12-20(22)3/h4-14,16H,15,17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8357 kcal/mol

Physical Properties
Molecular Weight: 371.548 g/mol	logS: -7.54775	SlogP: 7.43996	Reactive groups: 0

Topological Properties
Globularity: 0.0885106	Sterimol/B1: 2.29703	Sterimol/B2: 4.00881	Sterimol/B3: 6.05832
Sterimol/B4: 8.03505	Sterimol/L: 18.1376

Surface and Volume Properties
Accessible surface: 674.611	Positive charged surface: 386.986	Negative charged surface: 281.887	Volume: 390.125
Hydrophobic surface: 625.649	Hydrophilic surface: 48.962

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.