MMsINC Database Search


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MMsINC code: MMs02201261

Type: Neutral
Formula: C₂₄H₂₀N₂S₃

SMILES:

S(c1ccc(N)cc1)c1ccc(Sc2ccc(Sc3ccc(N)cc3)cc2)cc1

InChI:

InChI=1/C24H20N2S3/c25-17-1-5-19(6-2-17)27-21-9-13-23(14-10-21)29-24-15-11-22(12-16-24)28-20-7-3-18(26)4-8-20/h1-16H,25-26H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.054 kcal/mol

Physical Properties
Molecular Weight: 432.636 g/mol	logS: -9.36242	SlogP: 7.3046	Reactive groups: 0

Topological Properties
Globularity: 0.068377	Sterimol/B1: 3.50297	Sterimol/B2: 4.38127	Sterimol/B3: 5.23994
Sterimol/B4: 6.01074	Sterimol/L: 20.8907

Surface and Volume Properties
Accessible surface: 718.29	Positive charged surface: 384.814	Negative charged surface: 333.475	Volume: 407.125
Hydrophobic surface: 489.463	Hydrophilic surface: 228.827

Pharmacophoric Properties
Hydrogen bond donors: 2	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.