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MMsINC code: MMs01081079

Type: Neutral
Formula: C₁₉H₂₄N₂OS

SMILES:

S(C(C(=O)NCCCN(C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C19H24N2OS/c1-21(2)15-9-14-20-19(22)18(16-10-5-3-6-11-16)23-17-12-7-4-8-13-17/h3-8,10-13,18H,9,14-15H2,1-2H3,(H,20,22)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.3897 kcal/mol

Physical Properties
Molecular Weight: 328.48 g/mol	logS: -4.44641	SlogP: 3.6834	Reactive groups: 0

Topological Properties
Globularity: 0.0846775	Sterimol/B1: 3.15529	Sterimol/B2: 4.18659	Sterimol/B3: 6.85997
Sterimol/B4: 7.54429	Sterimol/L: 15.3899

Surface and Volume Properties
Accessible surface: 633.044	Positive charged surface: 422.729	Negative charged surface: 210.316	Volume: 336.75
Hydrophobic surface: 578.075	Hydrophilic surface: 54.969

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01081080
CHEMSTAR-ZINC02336811