MMsINC Database Search


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MMsINC code: MMs01506857

Type: Neutral
Formula: C₂₃H₃₀N₂O₄S

SMILES:

S(=O)(=O)(N1CCN(CC1)C(=O)Cc1ccccc1OC)c1c(C)c(cc(C)c1C)C

InChI:

InChI=1/C23H30N2O4S/c1-16-14-17(2)19(4)23(18(16)3)30(27,28)25-12-10-24(11-13-25)22(26)15-20-8-6-7-9-21(20)29-5/h6-9,14H,10-13,15H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.792 kcal/mol

Physical Properties
Molecular Weight: 430.569 g/mol	logS: -4.66239	SlogP: 3.00445	Reactive groups: 0

Topological Properties
Globularity: 0.0994715	Sterimol/B1: 3.04533	Sterimol/B2: 3.08519	Sterimol/B3: 6.59993
Sterimol/B4: 6.61154	Sterimol/L: 18.1078

Surface and Volume Properties
Accessible surface: 693.544	Positive charged surface: 463.933	Negative charged surface: 229.61	Volume: 411.875
Hydrophobic surface: 625.825	Hydrophilic surface: 67.719

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.