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MMsINC code: MMs02212597

Type: Neutral
Formula: C₁₉H₂₃ClN₂

SMILES:

Clc1ccc(cc1)C(N1CCCN(CC1)C)c1ccccc1

InChI:

InChI=1/C19H23ClN2/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17/h2-4,6-11,19H,5,12-15H2,1H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.3289 kcal/mol

Physical Properties
Molecular Weight: 314.86 g/mol	logS: -4.00702	SlogP: 4.1624	Reactive groups: 0

Topological Properties
Globularity: 0.209503	Sterimol/B1: 3.60871	Sterimol/B2: 3.99839	Sterimol/B3: 5.85829
Sterimol/B4: 6.91626	Sterimol/L: 12.5357

Surface and Volume Properties
Accessible surface: 552.048	Positive charged surface: 363.315	Negative charged surface: 188.733	Volume: 318.25
Hydrophobic surface: 551.124	Hydrophilic surface: 0.92399999999998

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02212598
NCID-ZINC00000369