MMsINC Database Search


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MMsINC code: MMs00648390

Type: Neutral
Formula: C₂₄H₂₃ClN₂O₃

SMILES:

Clc1cccc(NC(=O)COc2ccc(cc2)C(=O)Nc2ccc(cc2C)C)c1C

InChI:

InChI=1/C24H23ClN2O3/c1-15-7-12-21(16(2)13-15)27-24(29)18-8-10-19(11-9-18)30-14-23(28)26-22-6-4-5-20(25)17(22)3/h4-13H,14H2,1-3H3,(H,26,28)(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.732 kcal/mol

Physical Properties
Molecular Weight: 422.912 g/mol	logS: -6.93083	SlogP: 5.53506	Reactive groups: 0

Topological Properties
Globularity: 0.0158045	Sterimol/B1: 3.23484	Sterimol/B2: 3.63904	Sterimol/B3: 4.26319
Sterimol/B4: 5.39621	Sterimol/L: 23.6238

Surface and Volume Properties
Accessible surface: 736.541	Positive charged surface: 399.808	Negative charged surface: 336.733	Volume: 402.875
Hydrophobic surface: 656.079	Hydrophilic surface: 80.462

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: no related molecules available.