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MMsINC code: MMs03521855

Type: Neutral
Formula: C₂₃H₁₆ClNO₂

SMILES:

Clc1c2c(nc(-c3ccc(cc3)-c3ccccc3)c(C)c2C(O)=O)ccc1

InChI:

InChI=1/C23H16ClNO2/c1-14-20(23(26)27)21-18(24)8-5-9-19(21)25-22(14)17-12-10-16(11-13-17)15-6-3-2-4-7-15/h2-13H,1H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.291 kcal/mol

Physical Properties
Molecular Weight: 373.839 g/mol	logS: -7.65914	SlogP: 6.22882	Reactive groups: 0

Topological Properties
Globularity: 0.0263172	Sterimol/B1: 2.8923	Sterimol/B2: 2.91706	Sterimol/B3: 3.34298
Sterimol/B4: 7.37343	Sterimol/L: 18.3659

Surface and Volume Properties
Accessible surface: 592.227	Positive charged surface: 274.429	Negative charged surface: 300.972	Volume: 346.75
Hydrophobic surface: 504.177	Hydrophilic surface: 88.05

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

MMs03521856
PUBCHEM-ZINC06068948