MMsINC Database Search


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MMsINC code: MMs01060009

Type: Neutral
Formula: C₂₅H₂₃ClN₂O

SMILES:

Clc1ccc(cc1)CNC(=O)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C25H23ClN2O/c1-17-18(2)28(16-20-6-4-3-5-7-20)24-13-10-21(14-23(17)24)25(29)27-15-19-8-11-22(26)12-9-19/h3-14H,15-16H2,1-2H3,(H,27,29)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.1718 kcal/mol

Physical Properties
Molecular Weight: 402.925 g/mol	logS: -6.45887	SlogP: 6.42264	Reactive groups: 0

Topological Properties
Globularity: 0.0575865	Sterimol/B1: 2.27193	Sterimol/B2: 2.87692	Sterimol/B3: 4.54403
Sterimol/B4: 9.6643	Sterimol/L: 18.7261

Surface and Volume Properties
Accessible surface: 700.871	Positive charged surface: 363.947	Negative charged surface: 331.118	Volume: 399.375
Hydrophobic surface: 638.6	Hydrophilic surface: 62.271

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.