MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01952588

Type: Neutral
Formula: C₂₃H₁₉ClN₂O₂

SMILES:

Clc1ccc(N2C(c3ccccc3)C(=O)N(CC2=O)c2ccccc2C)cc1

InChI:

InChI=1/C23H19ClN2O2/c1-16-7-5-6-10-20(16)25-15-21(27)26(19-13-11-18(24)12-14-19)22(23(25)28)17-8-3-2-4-9-17/h2-14,22H,15H2,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=172.472 kcal/mol

Physical Properties
Molecular Weight: 390.87 g/mol	logS: -6.18292	SlogP: 4.86502	Reactive groups: 0

Topological Properties
Globularity: 0.124593	Sterimol/B1: 3.09178	Sterimol/B2: 4.95622	Sterimol/B3: 4.96095
Sterimol/B4: 6.53624	Sterimol/L: 17.259

Surface and Volume Properties
Accessible surface: 610.667	Positive charged surface: 308.653	Negative charged surface: 302.014	Volume: 367.125
Hydrophobic surface: 552.648	Hydrophilic surface: 58.019

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.