MMsINC Database Search


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MMsINC code: MMs00867835

Type: Neutral
Formula: C₂₃H₁₇ClO₃

SMILES:

Clc1ccccc1C1=COc2c(ccc(OCc3cc(ccc3)C)c2)C1=O

InChI:

InChI=1/C23H17ClO3/c1-15-5-4-6-16(11-15)13-26-17-9-10-19-22(12-17)27-14-20(23(19)25)18-7-2-3-8-21(18)24/h2-12,14H,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.319 kcal/mol

Physical Properties
Molecular Weight: 376.839 g/mol	logS: -7.28577	SlogP: 6.11002	Reactive groups: 1

Topological Properties
Globularity: 0.0338141	Sterimol/B1: 2.32478	Sterimol/B2: 3.06329	Sterimol/B3: 4.1875
Sterimol/B4: 6.40349	Sterimol/L: 20.5784

Surface and Volume Properties
Accessible surface: 646.711	Positive charged surface: 325.41	Negative charged surface: 321.301	Volume: 351.625
Hydrophobic surface: 612.734	Hydrophilic surface: 33.977

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.