MMsINC Database Search


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

MMsINC code: MMs00883275

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₂

SMILES:

Clc1ccc(cc1OCc1ccc(cc1)C(=O)NN)C

InChI:

InChI=1/C15H15ClN2O2/c1-10-2-7-13(16)14(8-10)20-9-11-3-5-12(6-4-11)15(19)18-17/h2-8H,9,17H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2285 kcal/mol

Physical Properties
Molecular Weight: 290.75 g/mol	logS: -4.64342	SlogP: 3.09732	Reactive groups: 0

Topological Properties
Globularity: 0.0548704	Sterimol/B1: 2.30196	Sterimol/B2: 3.11061	Sterimol/B3: 4.29217
Sterimol/B4: 7.10412	Sterimol/L: 17.1729

Surface and Volume Properties
Accessible surface: 539.982	Positive charged surface: 284.365	Negative charged surface: 255.617	Volume: 268.625
Hydrophobic surface: 405.303	Hydrophilic surface: 134.679

Pharmacophoric Properties
Hydrogen bond donors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.