MMsINC Database Search


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MMsINC code: MMs01767963

Type: Neutral
Formula: C₂₃H₁₅ClO₄

SMILES:

Clc1ccc(cc1)C(Oc1cc2OC(C)=C(C(=O)c2cc1)c1ccccc1)=O

InChI:

InChI=1/C23H15ClO4/c1-14-21(15-5-3-2-4-6-15)22(25)19-12-11-18(13-20(19)27-14)28-23(26)16-7-9-17(24)10-8-16/h2-13H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.582 kcal/mol

Physical Properties
Molecular Weight: 390.822 g/mol	logS: -7.41379	SlogP: 5.5655	Reactive groups: 1

Topological Properties
Globularity: 0.0440565	Sterimol/B1: 2.26665	Sterimol/B2: 3.22683	Sterimol/B3: 3.95818
Sterimol/B4: 7.05163	Sterimol/L: 21.7859

Surface and Volume Properties
Accessible surface: 651.169	Positive charged surface: 312.561	Negative charged surface: 338.608	Volume: 352.5
Hydrophobic surface: 588.052	Hydrophilic surface: 63.117

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.