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MMsINC code: MMs02963891

Type: Neutral
Formula: C₂₀H₂₁Cl₂NO

SMILES:

Clc1ccccc1C(O)(c1ccccc1Cl)C1C2CCN(C1)CC2

InChI:

InChI=1/C20H21Cl2NO/c21-18-7-3-1-5-15(18)20(24,16-6-2-4-8-19(16)22)17-13-23-11-9-14(17)10-12-23/h1-8,14,17,24H,9-13H2/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.233 kcal/mol

Physical Properties
Molecular Weight: 362.3 g/mol	logS: -5.14415	SlogP: 4.8826	Reactive groups: 0

Topological Properties
Globularity: 0.286408	Sterimol/B1: 2.67829	Sterimol/B2: 3.56292	Sterimol/B3: 4.93224
Sterimol/B4: 8.98327	Sterimol/L: 12.2302

Surface and Volume Properties
Accessible surface: 518.847	Positive charged surface: 317.939	Negative charged surface: 200.908	Volume: 329.125
Hydrophobic surface: 502.899	Hydrophilic surface: 15.948

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02963892
PUBCHEM-ZINC02942458