MMsINC Database Search


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MMsINC code: MMs00747417

Type: Neutral
Formula: C₂₄H₂₄ClNO₂

SMILES:

Clc1cc(C)c(OCCOCCn2c3c(c4c2cccc4)cccc3)c(c1)C

InChI:

InChI=1/C24H24ClNO2/c1-17-15-19(25)16-18(2)24(17)28-14-13-27-12-11-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-10,15-16H,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.8651 kcal/mol

Physical Properties
Molecular Weight: 393.914 g/mol	logS: -6.45806	SlogP: 6.42674	Reactive groups: 0

Topological Properties
Globularity: 0.0756532	Sterimol/B1: 2.53966	Sterimol/B2: 4.55021	Sterimol/B3: 6.14626
Sterimol/B4: 7.13153	Sterimol/L: 19.6861

Surface and Volume Properties
Accessible surface: 697.53	Positive charged surface: 387.316	Negative charged surface: 298.994	Volume: 391.75
Hydrophobic surface: 691.061	Hydrophilic surface: 6.4689999999999

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.