MMsINC Database Search


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MMsINC code: MMs01031635

Type: Neutral
Formula: C₂₁H₁₉ClN₂O₂

SMILES:

Clc1cc(C)c(OCC(=O)N(Cc2ccccc2)c2ncccc2)cc1

InChI:

InChI=1/C21H19ClN2O2/c1-16-13-18(22)10-11-19(16)26-15-21(25)24(20-9-5-6-12-23-20)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.3453 kcal/mol

Physical Properties
Molecular Weight: 366.848 g/mol	logS: -5.04148	SlogP: 4.92202	Reactive groups: 0

Topological Properties
Globularity: 0.121104	Sterimol/B1: 3.10432	Sterimol/B2: 3.30373	Sterimol/B3: 4.53948
Sterimol/B4: 9.0878	Sterimol/L: 16.3341

Surface and Volume Properties
Accessible surface: 634.091	Positive charged surface: 348.527	Negative charged surface: 285.564	Volume: 351.875
Hydrophobic surface: 600.124	Hydrophilic surface: 33.967

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.