MMsINC Database Search


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MMsINC code: MMs02345215

Type: Neutral
Formula: C₂₄H₂₃ClO₂

SMILES:

ClC(C(OC(=O)c1c(cc(cc1C)C)C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23ClO2/c1-16-14-17(2)21(18(3)15-16)24(26)27-23(20-12-8-5-9-13-20)22(25)19-10-6-4-7-11-19/h4-15,22-23H,1-3H3/t22-,23+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.483 kcal/mol

Physical Properties
Molecular Weight: 378.899 g/mol	logS: -7.48945	SlogP: 6.68106	Reactive groups: 0

Topological Properties
Globularity: 0.129794	Sterimol/B1: 3.72577	Sterimol/B2: 4.05515	Sterimol/B3: 4.49873
Sterimol/B4: 8.67199	Sterimol/L: 14.541

Surface and Volume Properties
Accessible surface: 622.167	Positive charged surface: 352.855	Negative charged surface: 269.312	Volume: 380
Hydrophobic surface: 552.188	Hydrophilic surface: 69.979

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.