MMsINC Database Search


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MMsINC code: MMs02899720

Type: Neutral
Formula: C₂₄H₁₇ClO₃

SMILES:

Clc1ccc(cc1)C1=Cc2c(OC1=O)cc(OC\C=C\c1ccccc1)cc2

InChI:

InChI=1/C24H17ClO3/c25-20-11-8-18(9-12-20)22-15-19-10-13-21(16-23(19)28-24(22)26)27-14-4-7-17-5-2-1-3-6-17/h1-13,15-16H,14H2/b7-4+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.808 kcal/mol

Physical Properties
Molecular Weight: 388.85 g/mol	logS: -7.60688	SlogP: 5.8918	Reactive groups: 0

Topological Properties
Globularity: 0.0206941	Sterimol/B1: 3.43631	Sterimol/B2: 3.4479	Sterimol/B3: 3.79372
Sterimol/B4: 4.53604	Sterimol/L: 24.0302

Surface and Volume Properties
Accessible surface: 680.077	Positive charged surface: 323.514	Negative charged surface: 356.564	Volume: 366.125
Hydrophobic surface: 598.566	Hydrophilic surface: 81.511

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.