MMsINC Database Search


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

MMsINC code: MMs00155932

Type: Neutral
Formula: C₁₉H₁₆Cl₂N₂O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1c(cccc1C)C

InChI:

InChI=1/C19H16Cl2N2O2/c1-10-6-4-7-11(2)17(10)22-19(24)15-12(3)25-23-18(15)16-13(20)8-5-9-14(16)21/h4-9H,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.405 kcal/mol

Physical Properties
Molecular Weight: 375.255 g/mol	logS: -6.49931	SlogP: 5.82596	Reactive groups: 0

Topological Properties
Globularity: 0.176682	Sterimol/B1: 2.90767	Sterimol/B2: 3.46104	Sterimol/B3: 5.57436
Sterimol/B4: 8.43817	Sterimol/L: 13.0288

Surface and Volume Properties
Accessible surface: 554.281	Positive charged surface: 251.301	Negative charged surface: 302.98	Volume: 332.5
Hydrophobic surface: 515.732	Hydrophilic surface: 38.549

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.