MMsINC Database Search


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

MMsINC code: MMs01344267

Type: Neutral
Formula: C₂₃H₁₇ClN₂O₂

SMILES:

Clc1ccccc1N1C(=O)/C(/c2c(cccc2)C1=O)=C\Nc1ccccc1C

InChI:

InChI=1/C23H17ClN2O2/c1-15-8-2-6-12-20(15)25-14-18-16-9-3-4-10-17(16)22(27)26(23(18)28)21-13-7-5-11-19(21)24/h2-14,25H,1H3/b18-14-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.766 kcal/mol

Physical Properties
Molecular Weight: 388.854 g/mol	logS: -6.52631	SlogP: 5.28842	Reactive groups: 0

Topological Properties
Globularity: 0.051166	Sterimol/B1: 2.96627	Sterimol/B2: 3.55014	Sterimol/B3: 4.81983
Sterimol/B4: 10.1633	Sterimol/L: 15.275

Surface and Volume Properties
Accessible surface: 627.469	Positive charged surface: 297.441	Negative charged surface: 330.029	Volume: 359.625
Hydrophobic surface: 586.718	Hydrophilic surface: 40.751

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules

MMs01344268
ENAMINE-ZINC03273904