MMsINC Database Search


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MMsINC code: MMs02777823

Type: Neutral
Formula: C₂₀H₂₆N₂O₃S

SMILES:

S(=O)(=O)(N(Cc1ccccc1C)c1ccc(cc1)C(=O)NC(CC)C)C

InChI:

InChI=1/C20H26N2O3S/c1-5-16(3)21-20(23)17-10-12-19(13-11-17)22(26(4,24)25)14-18-9-7-6-8-15(18)2/h6-13,16H,5,14H2,1-4H3,(H,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.0906 kcal/mol

Physical Properties
Molecular Weight: 374.505 g/mol	logS: -4.54258	SlogP: 3.75592	Reactive groups: 0

Topological Properties
Globularity: 0.114111	Sterimol/B1: 2.00099	Sterimol/B2: 4.18448	Sterimol/B3: 6.73015
Sterimol/B4: 7.42103	Sterimol/L: 15.5028

Surface and Volume Properties
Accessible surface: 642.146	Positive charged surface: 378.669	Negative charged surface: 263.477	Volume: 361.625
Hydrophobic surface: 514.965	Hydrophilic surface: 127.181

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: no related molecules available.