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MMsINC code: MMs00364585

Type: Neutral
Formula: C₁₈H₂₀Cl₂N₂O₂

SMILES:

Clc1cc2c3cc(Cl)ccc3n(c2cc1)CC(O)CN(CCO)C

InChI:

InChI=1/C18H20Cl2N2O2/c1-21(6-7-23)10-14(24)11-22-17-4-2-12(19)8-15(17)16-9-13(20)3-5-18(16)22/h2-5,8-9,14,23-24H,6-7,10-11H2,1H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7582 kcal/mol

Physical Properties
Molecular Weight: 367.276 g/mol	logS: -4.37686	SlogP: 3.6527	Reactive groups: 0

Topological Properties
Globularity: 0.124414	Sterimol/B1: 2.93873	Sterimol/B2: 4.91114	Sterimol/B3: 5.49349
Sterimol/B4: 7.65142	Sterimol/L: 14.4785

Surface and Volume Properties
Accessible surface: 600.341	Positive charged surface: 329.483	Negative charged surface: 260.102	Volume: 335.75
Hydrophobic surface: 525.802	Hydrophilic surface: 74.539

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00364586
ASINEX-ZINC04718305