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MMsINC code: MMs03068943

Type: Neutral
Formula: C₂₃H₁₈ClNO₃

SMILES:

Clc1cc(-c2cn3c(C=CC=C3)c2C(O)=O)c(OCc2ccccc2)cc1C

InChI:

InChI=1/C23H18ClNO3/c1-15-11-21(28-14-16-7-3-2-4-8-16)17(12-19(15)24)18-13-25-10-6-5-9-20(25)22(18)23(26)27/h2-13H,14H2,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.6364 kcal/mol

Physical Properties
Molecular Weight: 391.854 g/mol	logS: -5.88464	SlogP: 6.15802	Reactive groups: 0

Topological Properties
Globularity: 0.191862	Sterimol/B1: 4.02736	Sterimol/B2: 4.72387	Sterimol/B3: 4.92346
Sterimol/B4: 9.38665	Sterimol/L: 14.768

Surface and Volume Properties
Accessible surface: 635.56	Positive charged surface: 316.52	Negative charged surface: 319.04	Volume: 365.125
Hydrophobic surface: 556.139	Hydrophilic surface: 79.421

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs03068944
PUBCHEM-ZINC03748477