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MMsINC code: MMs02733220

Type: Neutral
Formula: C₂₄H₂₄N₂S

SMILES:

S1c2c(cccc2)C(N2CCN(CC2)c2ccccc2)Cc2c1cccc2

InChI:

InChI=1/C24H24N2S/c1-2-9-20(10-3-1)25-14-16-26(17-15-25)22-18-19-8-4-6-12-23(19)27-24-13-7-5-11-21(22)24/h1-13,22H,14-18H2/t22-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=182.426 kcal/mol

Physical Properties
Molecular Weight: 372.536 g/mol	logS: -6.15605	SlogP: 5.35267	Reactive groups: 0

Topological Properties
Globularity: 0.0887493	Sterimol/B1: 3.58774	Sterimol/B2: 3.76011	Sterimol/B3: 5.27651
Sterimol/B4: 6.84266	Sterimol/L: 17.7577

Surface and Volume Properties
Accessible surface: 618.564	Positive charged surface: 368.087	Negative charged surface: 250.477	Volume: 373.5
Hydrophobic surface: 576.741	Hydrophilic surface: 41.823

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02733221
PUBCHEM-ZINC00722220