MMsINC Database Search


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MMsINC code: MMs00870761

Type: Neutral
Formula: C₂₂H₁₆ClNO₃

SMILES:

Clc1ccccc1CN1Cc2c3OC(=O)c4c(-c3ccc2OC1)cccc4

InChI:

InChI=1/C22H16ClNO3/c23-19-8-4-1-5-14(19)11-24-12-18-20(26-13-24)10-9-16-15-6-2-3-7-17(15)22(25)27-21(16)18/h1-10H,11-13H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.024 kcal/mol

Physical Properties
Molecular Weight: 377.827 g/mol	logS: -6.96992	SlogP: 5.4245	Reactive groups: 0

Topological Properties
Globularity: 0.0557527	Sterimol/B1: 3.33434	Sterimol/B2: 4.68641	Sterimol/B3: 4.71852
Sterimol/B4: 5.02007	Sterimol/L: 18.3177

Surface and Volume Properties
Accessible surface: 595.18	Positive charged surface: 310.607	Negative charged surface: 273.989	Volume: 341
Hydrophobic surface: 511.882	Hydrophilic surface: 83.298

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.