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MMsINC code: MMs01327436

Type: Neutral
Formula: C₂₃H₁₇Cl₂NO₄

SMILES:

Clc1c(NC(=O)COc2ccc-3c(OC(=O)c4c-3cccc4)c2C)c(Cl)ccc1C

InChI:

InChI=1/C23H17Cl2NO4/c1-12-7-9-17(24)21(20(12)25)26-19(27)11-29-18-10-8-15-14-5-3-4-6-16(14)23(28)30-22(15)13(18)2/h3-10H,11H2,1-2H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=152.549 kcal/mol

Physical Properties
Molecular Weight: 442.298 g/mol	logS: -8.52789	SlogP: 5.82734	Reactive groups: 0

Topological Properties
Globularity: 0.0419884	Sterimol/B1: 2.105	Sterimol/B2: 4.21071	Sterimol/B3: 4.95043
Sterimol/B4: 7.28863	Sterimol/L: 20.7116

Surface and Volume Properties
Accessible surface: 677.032	Positive charged surface: 323.854	Negative charged surface: 343.402	Volume: 386.375
Hydrophobic surface: 582.402	Hydrophilic surface: 94.63

Pharmacophoric Properties
Hydrogen bond donors: 1	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: no related molecules available.