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MMsINC code: MMs01583369

Type: Neutral
Formula: C₂₄H₁₉ClN₂O₂

SMILES:

Clc1ccccc1N1C(=O)/C(/c2c(cccc2)C1=O)=C\NCCc1ccccc1

InChI:

InChI=1/C24H19ClN2O2/c25-21-12-6-7-13-22(21)27-23(28)19-11-5-4-10-18(19)20(24(27)29)16-26-15-14-17-8-2-1-3-9-17/h1-13,16,26H,14-15H2/b20-16-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.374 kcal/mol

Physical Properties
Molecular Weight: 402.881 g/mol	logS: -6.37135	SlogP: 4.70017	Reactive groups: 0

Topological Properties
Globularity: 0.0617319	Sterimol/B1: 3.84873	Sterimol/B2: 4.56565	Sterimol/B3: 6.46042
Sterimol/B4: 7.47155	Sterimol/L: 16.8996

Surface and Volume Properties
Accessible surface: 680.993	Positive charged surface: 341.321	Negative charged surface: 339.672	Volume: 380.25
Hydrophobic surface: 630.275	Hydrophilic surface: 50.718

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01583370
ENAMINE-ZINC05072262