MMsINC Database Search


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

MMsINC code: MMs00492253

Type: Neutral
Formula: C₂₀H₁₃ClN₂O₂

SMILES:

Clc1ccc(cc1)C(=O)Nc1ccc(cc1)-c1oc2c(n1)cccc2

InChI:

InChI=1/C20H13ClN2O2/c21-15-9-5-13(6-10-15)19(24)22-16-11-7-14(8-12-16)20-23-17-3-1-2-4-18(17)25-20/h1-12H,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.2744 kcal/mol

Physical Properties
Molecular Weight: 348.789 g/mol	logS: -7.40483	SlogP: 5.4005	Reactive groups: 0

Topological Properties
Globularity: 0.00696232	Sterimol/B1: 2.47641	Sterimol/B2: 2.7664	Sterimol/B3: 3.68331
Sterimol/B4: 4.44654	Sterimol/L: 21.3482

Surface and Volume Properties
Accessible surface: 604.121	Positive charged surface: 290.29	Negative charged surface: 313.831	Volume: 316
Hydrophobic surface: 529.151	Hydrophilic surface: 74.97

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: no related molecules available.