MMsINC Database Search


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MMsINC code: MMs00689967

Type: Neutral
Formula: C₂₀H₁₆N₂OS₂

SMILES:

S1\C(=C\c2c3c(n(c2)Cc2ccccc2)cccc3)\C(=O)N(C)C1=S

InChI:

InChI=1/C20H16N2OS2/c1-21-19(23)18(25-20(21)24)11-15-13-22(12-14-7-3-2-4-8-14)17-10-6-5-9-16(15)17/h2-11,13H,12H2,1H3/b18-11-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.7974 kcal/mol

Physical Properties
Molecular Weight: 364.493 g/mol	logS: -6.18976	SlogP: 4.787	Reactive groups: 0

Topological Properties
Globularity: 0.0667447	Sterimol/B1: 3.24364	Sterimol/B2: 4.18874	Sterimol/B3: 5.2395
Sterimol/B4: 7.16387	Sterimol/L: 15.2604

Surface and Volume Properties
Accessible surface: 596.989	Positive charged surface: 299.251	Negative charged surface: 292.086	Volume: 338.75
Hydrophobic surface: 441.687	Hydrophilic surface: 155.302

Pharmacophoric Properties
Hydrogen bond donors: 0	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.