MMsINC Database Search


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

MMsINC code: MMs02003467

Type: Neutral
Formula: C₁₄H₁₃ClN₂O₃

SMILES:

Clc1cccc(NC(=O)C(=O)NCc2occc2)c1C

InChI:

InChI=1/C14H13ClN2O3/c1-9-11(15)5-2-6-12(9)17-14(19)13(18)16-8-10-4-3-7-20-10/h2-7H,8H2,1H3,(H,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0229 kcal/mol

Physical Properties
Molecular Weight: 292.722 g/mol	logS: -4.17377	SlogP: 2.76272	Reactive groups: 0

Topological Properties
Globularity: 0.035172	Sterimol/B1: 1.969	Sterimol/B2: 3.32363	Sterimol/B3: 3.57497
Sterimol/B4: 6.8076	Sterimol/L: 17.04

Surface and Volume Properties
Accessible surface: 522.798	Positive charged surface: 256.535	Negative charged surface: 266.263	Volume: 259.875
Hydrophobic surface: 415.482	Hydrophilic surface: 107.316

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.