MMsINC Database Search


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MMsINC code: MMs01081665

Type: Neutral
Formula: C₂₃H₁₆ClNO₂

SMILES:

Clc1ccc(cc1)-c1nc2c(cccc2C)c(c1)C(Oc1ccccc1)=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.261 kcal/mol

Physical Properties
Molecular Weight: 373.839 g/mol	logS: -7.37742	SlogP: 6.08282	Reactive groups: 0

Topological Properties
Globularity: 0.0376517	Sterimol/B1: 3.46483	Sterimol/B2: 3.52992	Sterimol/B3: 3.62059
Sterimol/B4: 10.6013	Sterimol/L: 16.5164

Surface and Volume Properties
Accessible surface: 632.17	Positive charged surface: 297.752	Negative charged surface: 323.79	Volume: 353.375
Hydrophobic surface: 593.417	Hydrophilic surface: 38.753

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.