MMsINC Database Search


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MMsINC code: MMs00687976

Type: Neutral
Formula: C₂₄H₂₃ClN₂O

SMILES:

Clc1ccccc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C24H23ClN2O/c25-22-14-8-7-13-21(22)24(28)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.071 kcal/mol

Physical Properties
Molecular Weight: 390.914 g/mol	logS: -5.74184	SlogP: 4.9829	Reactive groups: 0

Topological Properties
Globularity: 0.121972	Sterimol/B1: 2.51724	Sterimol/B2: 3.6294	Sterimol/B3: 4.42462
Sterimol/B4: 8.88947	Sterimol/L: 16.1706

Surface and Volume Properties
Accessible surface: 643.57	Positive charged surface: 366.66	Negative charged surface: 276.91	Volume: 379.75
Hydrophobic surface: 617.947	Hydrophilic surface: 25.623

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

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Ions/Tautomers related molecules

MMs00687977
CHEMBRIDGE-ZINC01207987