MMsINC Database Search


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MMsINC code: MMs02907284

Type: Neutral
Formula: C₂₄H₂₄ClNO₃

SMILES:

Clc1ccc(OCCCOc2ccc(cc2)C(=O)NCCc2ccccc2)cc1

InChI:

InChI=1/C24H24ClNO3/c25-21-9-13-23(14-10-21)29-18-4-17-28-22-11-7-20(8-12-22)24(27)26-16-15-19-5-2-1-3-6-19/h1-3,5-14H,4,15-18H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.715 kcal/mol

Physical Properties
Molecular Weight: 409.913 g/mol	logS: -6.19154	SlogP: 5.16037	Reactive groups: 0

Topological Properties
Globularity: 0.0145269	Sterimol/B1: 3.61748	Sterimol/B2: 3.61778	Sterimol/B3: 4.35159
Sterimol/B4: 7.37759	Sterimol/L: 25.0869

Surface and Volume Properties
Accessible surface: 761.896	Positive charged surface: 425.325	Negative charged surface: 336.57	Volume: 403.75
Hydrophobic surface: 705.383	Hydrophilic surface: 56.513

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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: 1

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Ions/Tautomers related molecules: no related molecules available.