MMsINC Database Search


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MMsINC code: MMs00778190

Type: Neutral
Formula: C₂₄H₂₃ClN₂O

SMILES:

Clc1cc(NC(=O)c2ccc(cc2)CN2CCc3c(C2)cccc3)c(cc1)C

InChI:

InChI=1/C24H23ClN2O/c1-17-6-11-22(25)14-23(17)26-24(28)20-9-7-18(8-10-20)15-27-13-12-19-4-2-3-5-21(19)16-27/h2-11,14H,12-13,15-16H2,1H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.96 kcal/mol

Physical Properties
Molecular Weight: 390.914 g/mol	logS: -6.07285	SlogP: 5.99179	Reactive groups: 0

Topological Properties
Globularity: 0.0472345	Sterimol/B1: 2.84019	Sterimol/B2: 3.41201	Sterimol/B3: 4.52917
Sterimol/B4: 7.1452	Sterimol/L: 18.8493

Surface and Volume Properties
Accessible surface: 675.449	Positive charged surface: 378.885	Negative charged surface: 296.564	Volume: 381.25
Hydrophobic surface: 636.994	Hydrophilic surface: 38.455

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

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Ions/Tautomers related molecules

MMs00778191
CHEMBRIDGE-ZINC04701885