MMsINC Database Search


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MMsINC code: MMs00874171

Type: Neutral
Formula: C₂₃H₁₈ClNO₃

SMILES:

Clc1ccccc1CN1Cc2c3OC(=O)c4c(-c3c(cc2OC1)C)cccc4

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=128.852 kcal/mol

Physical Properties
Molecular Weight: 391.854 g/mol	logS: -7.44384	SlogP: 5.73292	Reactive groups: 0

Topological Properties
Globularity: 0.0505222	Sterimol/B1: 2.43206	Sterimol/B2: 3.65252	Sterimol/B3: 4.1788
Sterimol/B4: 8.0903	Sterimol/L: 18.3088

Surface and Volume Properties
Accessible surface: 610.62	Positive charged surface: 333.405	Negative charged surface: 268.444	Volume: 356.125
Hydrophobic surface: 527.458	Hydrophilic surface: 83.162

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.