MMsINC Database Search


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MMsINC code: MMs02921547

Type: Neutral
Formula: C₂₄H₁₉ClN₂O

SMILES:

Clc1ccccc1C(=O)N1CCc2c([nH]c3c2cccc3)C1c1ccccc1

InChI:

InChI=1/C24H19ClN2O/c25-20-12-6-4-11-19(20)24(28)27-15-14-18-17-10-5-7-13-21(17)26-22(18)23(27)16-8-2-1-3-9-16/h1-13,23,26H,14-15H2/t23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.766 kcal/mol

Physical Properties
Molecular Weight: 386.882 g/mol	logS: -6.3218	SlogP: 5.70467	Reactive groups: 0

Topological Properties
Globularity: 0.286167	Sterimol/B1: 2.53553	Sterimol/B2: 4.42138	Sterimol/B3: 4.9988
Sterimol/B4: 10.4511	Sterimol/L: 14.8186

Surface and Volume Properties
Accessible surface: 608.819	Positive charged surface: 314.56	Negative charged surface: 288.578	Volume: 365.375
Hydrophobic surface: 570.058	Hydrophilic surface: 38.761

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.