MMsINC Database Search


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

MMsINC code: MMs02325945

Type: Neutral
Formula: C₂₄H₂₄Cl₂N₂O

SMILES:

Clc1ccc(cc1)CN1CCCN(Cc2ccc(Cl)cc2)C1c1ccccc1O

InChI:

InChI=1/C24H24Cl2N2O/c25-20-10-6-18(7-11-20)16-27-14-3-15-28(17-19-8-12-21(26)13-9-19)24(27)22-4-1-2-5-23(22)29/h1-2,4-13,24,29H,3,14-17H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.268 kcal/mol

Physical Properties
Molecular Weight: 427.375 g/mol	logS: -6.02799	SlogP: 6.734	Reactive groups: 0

Topological Properties
Globularity: 0.17253	Sterimol/B1: 3.47019	Sterimol/B2: 3.64567	Sterimol/B3: 5.49129
Sterimol/B4: 8.47342	Sterimol/L: 18.2417

Surface and Volume Properties
Accessible surface: 669.557	Positive charged surface: 339.589	Negative charged surface: 329.968	Volume: 401.625
Hydrophobic surface: 624.968	Hydrophilic surface: 44.589

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.