MMsINC Database Search


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MMsINC code: MMs00929850

Type: Neutral
Formula: C₂₃H₂₀N₂S

SMILES:

s1cccc1C(c1c2c(n(c1)C)cccc2)c1c2c(n(c1)C)cccc2

InChI:

InChI=1/C23H20N2S/c1-24-14-18(16-8-3-5-10-20(16)24)23(22-12-7-13-26-22)19-15-25(2)21-11-6-4-9-17(19)21/h3-15,23H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2948 kcal/mol

Physical Properties
Molecular Weight: 356.493 g/mol	logS: -5.00476	SlogP: 6.6301	Reactive groups: 0

Topological Properties
Globularity: 0.403988	Sterimol/B1: 2.31596	Sterimol/B2: 5.38657	Sterimol/B3: 6.26839
Sterimol/B4: 7.97643	Sterimol/L: 13.761

Surface and Volume Properties
Accessible surface: 613.787	Positive charged surface: 360.211	Negative charged surface: 243.36	Volume: 358.5
Hydrophobic surface: 603.113	Hydrophilic surface: 10.674

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: 0

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Ions/Tautomers related molecules: no related molecules available.