MMsINC Database Search


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MMsINC code: MMs03552080

Type: Neutral
Formula: C₂₄H₂₄ClN₃O₃S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(C2CCCCC2)c2ncccc2)cc1

InChI:

InChI=1/C24H24ClN3O3S/c25-18-13-15-20(16-14-18)32(30,31)27-22-11-5-4-10-21(22)24(29)28(19-8-2-1-3-9-19)23-12-6-7-17-26-23/h4-7,10-17,19,27H,1-3,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=617.48 kcal/mol

Physical Properties
Molecular Weight: 469.993 g/mol	logS: -6.16927	SlogP: 5.5153	Reactive groups: 0

Topological Properties
Globularity: 0.209374	Sterimol/B1: 2.70296	Sterimol/B2: 3.79383	Sterimol/B3: 6.62524
Sterimol/B4: 9.85976	Sterimol/L: 14.244

Surface and Volume Properties
Accessible surface: 674.293	Positive charged surface: 368.679	Negative charged surface: 305.613	Volume: 407.25
Hydrophobic surface: 586.186	Hydrophilic surface: 88.107

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

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Ions/Tautomers related molecules: no related molecules available.