MMsINC Database Search


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

MMsINC code: MMs02830906

Type: Neutral
Formula: C₁₇H₁₅Cl₃N₂O₃

SMILES:

Clc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c(C)c1C

InChI:

InChI=1/C17H15Cl3N2O3/c1-9-10(2)15(6-5-13(9)19)25-8-16(23)21-22-17(24)12-4-3-11(18)7-14(12)20/h3-7H,8H2,1-2H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.091 kcal/mol

Physical Properties
Molecular Weight: 401.677 g/mol	logS: -6.18403	SlogP: 4.10364	Reactive groups: 0

Topological Properties
Globularity: 0.00450743	Sterimol/B1: 2.18153	Sterimol/B2: 2.51233	Sterimol/B3: 2.52416
Sterimol/B4: 6.93249	Sterimol/L: 20.8347

Surface and Volume Properties
Accessible surface: 631.802	Positive charged surface: 270.531	Negative charged surface: 361.27	Volume: 336.125
Hydrophobic surface: 534.606	Hydrophilic surface: 97.196

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.