MMsINC Database Search


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MMsINC code: MMs02634481

Type: Neutral
Formula: C₁₅H₂₄N₂S

SMILES:

S=C(Nc1ccccc1)N(CC(C)C)CC(C)C

InChI:

InChI=1/C15H24N2S/c1-12(2)10-17(11-13(3)4)15(18)16-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.9257 kcal/mol

Physical Properties
Molecular Weight: 264.437 g/mol	logS: -4.23728	SlogP: 3.9974	Reactive groups: 0

Topological Properties
Globularity: 0.15956	Sterimol/B1: 2.21115	Sterimol/B2: 3.38512	Sterimol/B3: 4.0334
Sterimol/B4: 8.84347	Sterimol/L: 13.6517

Surface and Volume Properties
Accessible surface: 516.732	Positive charged surface: 323.59	Negative charged surface: 193.142	Volume: 285.75
Hydrophobic surface: 397.547	Hydrophilic surface: 119.185

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.