MMsINC Database Search


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MMsINC code: MMs01175376

Type: Neutral
Formula: C₂₄H₂₅ClN₂O₂

SMILES:

Clc1cc(ccc1)Cn1cccc1CN(CCOC)C(=O)\C=C\c1ccccc1

InChI:

InChI=1/C24H25ClN2O2/c1-29-16-15-27(24(28)13-12-20-7-3-2-4-8-20)19-23-11-6-14-26(23)18-21-9-5-10-22(25)17-21/h2-14,17H,15-16,18-19H2,1H3/b13-12+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.1636 kcal/mol

Physical Properties
Molecular Weight: 408.929 g/mol	logS: -4.83372	SlogP: 5.411	Reactive groups: 0

Topological Properties
Globularity: 0.0693855	Sterimol/B1: 2.1294	Sterimol/B2: 3.14145	Sterimol/B3: 4.66015
Sterimol/B4: 8.92538	Sterimol/L: 19.5245

Surface and Volume Properties
Accessible surface: 700.074	Positive charged surface: 403.94	Negative charged surface: 296.133	Volume: 410.25
Hydrophobic surface: 647.179	Hydrophilic surface: 52.895

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.